4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid

C15H13N5O3 — CID 155446319

IUPAC4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid
SMILESN#Cc1ccnc(/C(N)=C/N(N)c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C15H13N5O3/c16-7-9-3-4-19-13(5-9)12(17)8-20(18)10-1-2-11(15(22)23)14(21)6-10/h1-6,8,21H,17-18H2,(H,22,23)/b12-8-
InChIKeyVMKWTQBQDUABRN-WQLSENKSSA-N
MW311.30 g/mol
LogP0.99
Rot. Bonds4

About 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid

4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid (PubChem CID 155446319) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid
PubChem CID155446319
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid
SMILESN#Cc1ccnc(/C(N)=C/N(N)c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C15H13N5O3/c16-7-9-3-4-19-13(5-9)12(17)8-20(18)10-1-2-11(15(22)23)14(21)6-10/h1-6,8,21H,17-18H2,(H,22,23)/b12-8-
InChIKeyVMKWTQBQDUABRN-WQLSENKSSA-N
XLogP0.99
TPSA149.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

4-[amino-[(Z)-2-amino-2-(4-ethynyl-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid
CID 139314555
4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid
CID 155446921
4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methoxycarbonyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid
CID 155446901
4-[4-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-(cyclopentylcarbamoyl)-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 170187362
4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 115116827
4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
CID 11031719
4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 115116809
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
4-cyano-2-iodobenzoic acid
CID 53404296
4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
CID 62983495
5-[(4-cyano-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55142151
2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382290

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid (CID 155446319) is 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid is N#Cc1ccnc(/C(N)=C/N(N)c2ccc(C(=O)O)c(O)c2)c1.
What is the InChIKey of 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid?
The InChIKey is VMKWTQBQDUABRN-WQLSENKSSA-N. The full InChI is InChI=1S/C15H13N5O3/c16-7-9-3-4-19-13(5-9)12(17)8-20(18)10-1-2-11(15(22)23)14(21)6-10/h1-6,8,21H,17-18H2,(H,22,23)/b12-8-.
What are the key properties of 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid?
4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid has a molecular weight of 311.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 155446319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).