4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid

C19H13N3O2 — CID 21001889

IUPAC4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid
SMILESN#Cc1cc(-c2ccccc2)cnc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H13N3O2/c20-11-15-10-16(13-4-2-1-3-5-13)12-21-18(15)22-17-8-6-14(7-9-17)19(23)24/h1-10,12H,(H,21,22)(H,23,24)
InChIKeyYPCARMYCUNZXAD-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.06
Rot. Bonds4

About 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid

4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid (PubChem CID 21001889) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid
PubChem CID21001889
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid
SMILESN#Cc1cc(-c2ccccc2)cnc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H13N3O2/c20-11-15-10-16(13-4-2-1-3-5-13)12-21-18(15)22-17-8-6-14(7-9-17)19(23)24/h1-10,12H,(H,21,22)(H,23,24)
InChIKeyYPCARMYCUNZXAD-UHFFFAOYSA-N
XLogP4.06
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3-cyano-5-phenyl-2-pyridinyl)amino]methyl]benzoic acid
CID 7749382
2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004427
2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid
CID 21004433
2-(1,3-benzodioxol-5-ylamino)-5-phenylpyridine-3-carbonitrile
CID 21001885
2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004408
2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912151
2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile
CID 164912177
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
4-[[4-(2-cyanoanilino)pyrimidin-2-yl]amino]benzoic acid;hydrochloride
CID 71499634
4-anilino-2-phenylpyrimidine-5-carbonitrile
CID 12598855

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid?
The IUPAC name of 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid (CID 21001889) is 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid is N#Cc1cc(-c2ccccc2)cnc1Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid?
The InChIKey is YPCARMYCUNZXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-11-15-10-16(13-4-2-1-3-5-13)12-21-18(15)22-17-8-6-14(7-9-17)19(23)24/h1-10,12H,(H,21,22)(H,23,24).
What are the key properties of 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid?
4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 21001889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).