5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid

C13H11N5O2 — CID 167448619

IUPAC5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(N(N)c2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C13H11N5O2/c14-6-8-1-3-10(4-2-8)18(16)12-11(15)5-9(7-17-12)13(19)20/h1-5,7H,15-16H2,(H,19,20)
InChIKeyHSWJNIFJWMVMIE-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.25
Rot. Bonds3

About 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid

5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid (PubChem CID 167448619) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid
PubChem CID167448619
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(N(N)c2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C13H11N5O2/c14-6-8-1-3-10(4-2-8)18(16)12-11(15)5-9(7-17-12)13(19)20/h1-5,7H,15-16H2,(H,19,20)
InChIKeyHSWJNIFJWMVMIE-UHFFFAOYSA-N
XLogP1.25
TPSA129.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane
CID 167448618
5-amino-6-cyanopyridine-3-carboxylic acid
CID 130777741
5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid
CID 81447117
5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033
5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 103468332
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid
CID 81439426
5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 81447521
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439567
5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 62983158

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid (CID 167448619) is 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid is N#Cc1ccc(N(N)c2ncc(C(=O)O)cc2N)cc1.
What is the InChIKey of 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid?
The InChIKey is HSWJNIFJWMVMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-6-8-1-3-10(4-2-8)18(16)12-11(15)5-9(7-17-12)13(19)20/h1-5,7H,15-16H2,(H,19,20).
What are the key properties of 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid?
5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 167448619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).