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CAS 1019387-69-9 3-Pyridinecarboxylic acid, 6-[(1,1-dimethylethyl)amino]- molecular structure lightbox
CAS RN: 1019387-69-9

3-Pyridinecarboxylic acid, 6-[(1,1-dimethylethyl)amino]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003060
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1019387-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1019387-69-9 / 6-(tert-butylamino)pyridine-3-carboxylic acid

6-(tert-Butylamino)nicotinic acid | MFCD11131977 | 6-(tert-butylamino)pyridine-3-carboxylic acid

Standard CAS: 1019387-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1019387-69-9
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
SMILES
CC(C)(C)NC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H14N2O2/c1-10(2,3)12-8-5-4-7(6-11-8)9(13)14/h4-6H,1-3H3,(H,11,12)(H,13,14)
InChIKey
ZJWDUXSEAHEJED-UHFFFAOYSA-N
Synonyms
6-(tert-Butylamino)nicotinic acid MFCD11131977 6-(tert-butylamino)pyridine-3-carboxylic acid SCHEMBL14185019 AKOS000213556

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.57
TPSA
62.22

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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