2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid

C20H16N2O3 — CID 67343058

IUPAC2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
SMILESCc1cccnc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C20H16N2O3/c1-13-6-5-11-21-18(13)19(23)22-17-12-15(9-10-16(17)20(24)25)14-7-3-2-4-8-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyGWYYSXPOPDZELO-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.01
Rot. Bonds4

About 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid

2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid (PubChem CID 67343058) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
PubChem CID67343058
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
SMILESCc1cccnc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C20H16N2O3/c1-13-6-5-11-21-18(13)19(23)22-17-12-15(9-10-16(17)20(24)25)14-7-3-2-4-8-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyGWYYSXPOPDZELO-UHFFFAOYSA-N
XLogP4.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62338930
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 66990128
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
4-phenyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 67343979
N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide
CID 62341176
3-methyl-N-(2-sulfamoylphenyl)pyridine-2-carboxamide
CID 62340174
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 58508716

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid (CID 67343058) is 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid is Cc1cccnc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid?
The InChIKey is GWYYSXPOPDZELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-13-6-5-11-21-18(13)19(23)22-17-12-15(9-10-16(17)20(24)25)14-7-3-2-4-8-14/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid?
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid has a molecular weight of 332.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid is sourced from PubChem (CID 67343058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).