5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid

C13H10N4O2 — CID 81440129

IUPAC5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
SMILESN#Cc1ccccc1Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H10N4O2/c14-6-8-3-1-2-4-11(8)17-12-10(15)5-9(7-16-12)13(18)19/h1-5,7H,15H2,(H,16,17)(H,18,19)
InChIKeyRQXLKEVXOZHNHP-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.98
Rot. Bonds3

About 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid

5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid (PubChem CID 81440129) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
PubChem CID81440129
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
SMILESN#Cc1ccccc1Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H10N4O2/c14-6-8-3-1-2-4-11(8)17-12-10(15)5-9(7-16-12)13(18)19/h1-5,7H,15H2,(H,16,17)(H,18,19)
InChIKeyRQXLKEVXOZHNHP-UHFFFAOYSA-N
XLogP1.98
TPSA112.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033
5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 81447920
5-amino-6-cyanopyridine-3-carboxylic acid
CID 130777741
5-amino-6-(5-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 81439419
2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003027
5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
CID 103587165
5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid
CID 81447017
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
CID 81440060
5-amino-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxylic acid
CID 81440039
2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004427
4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid
CID 21001889
4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide
CID 63360601

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid (CID 81440129) is 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid is N#Cc1ccccc1Nc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid?
The InChIKey is RQXLKEVXOZHNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-6-8-3-1-2-4-11(8)17-12-10(15)5-9(7-16-12)13(18)19/h1-5,7H,15H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid?
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81440129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).