5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid

C20H15N3O4 — CID 21004485

IUPAC5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid
SMILESCOc1ccc(-c2ccc(C#N)c(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
InChIInChI=1S/C20H15N3O4/c1-27-15-6-2-12(3-7-15)17-8-4-13(11-21)19(23-17)22-14-5-9-18(24)16(10-14)20(25)26/h2-10,24H,1H3,(H,22,23)(H,25,26)
InChIKeyVNWWTKOYDOJPIA-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.78
Rot. Bonds5

About 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid

5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid (PubChem CID 21004485) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid
PubChem CID21004485
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid
SMILESCOc1ccc(-c2ccc(C#N)c(Nc3ccc(O)c(C(=O)O)c3)n2)cc1
InChIInChI=1S/C20H15N3O4/c1-27-15-6-2-12(3-7-15)17-8-4-13(11-21)19(23-17)22-14-5-9-18(24)16(10-14)20(25)26/h2-10,24H,1H3,(H,22,23)(H,25,26)
InChIKeyVNWWTKOYDOJPIA-UHFFFAOYSA-N
XLogP3.78
TPSA115.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide
CID 7719451
5-[[2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-2-hydroxybenzoic acid
CID 3774186
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474
2-bromo-5-[(3-cyano-6-methyl-2-pyridinyl)amino]benzoic acid
CID 115296132
2-hydroxy-5-[(6-methoxyquinazolin-4-yl)amino]benzoic acid
CID 21002903
6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 16637669
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 23743382
2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749478
5-(cyanomethylamino)-2-hydroxybenzoic acid
CID 45089274
2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 50885253
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3360693

Frequently Asked Questions

What is the IUPAC name of 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid (CID 21004485) is 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid is COc1ccc(-c2ccc(C#N)c(Nc3ccc(O)c(C(=O)O)c3)n2)cc1.
What is the InChIKey of 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid?
The InChIKey is VNWWTKOYDOJPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-27-15-6-2-12(3-7-15)17-8-4-13(11-21)19(23-17)22-14-5-9-18(24)16(10-14)20(25)26/h2-10,24H,1H3,(H,22,23)(H,25,26).
What are the key properties of 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid?
5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid has a molecular weight of 361.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 21004485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).