4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid

C26H20N2O3 — CID 58508447

IUPAC4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccccc1-c1ccc(C(=O)O)c(NC(=O)c2cncc(-c3ccccc3)c2)c1
InChIInChI=1S/C26H20N2O3/c1-17-7-5-6-10-22(17)19-11-12-23(26(30)31)24(14-19)28-25(29)21-13-20(15-27-16-21)18-8-3-2-4-9-18/h2-16H,1H3,(H,28,29)(H,30,31)
InChIKeyBIQZQFUAIKWBHH-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.67
Rot. Bonds5

About 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid

4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 58508447) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID58508447
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC Name4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccccc1-c1ccc(C(=O)O)c(NC(=O)c2cncc(-c3ccccc3)c2)c1
InChIInChI=1S/C26H20N2O3/c1-17-7-5-6-10-22(17)19-11-12-23(26(30)31)24(14-19)28-25(29)21-13-20(15-27-16-21)18-8-3-2-4-9-18/h2-16H,1H3,(H,28,29)(H,30,31)
InChIKeyBIQZQFUAIKWBHH-UHFFFAOYSA-N
XLogP5.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Netarsudil
CID 66599893
4-(5,6-Dihydro-5,5-dimethyl-8-(quinolin-3-yl)naphthalen-2-carboxamido)benzoic acid
CID 445091
Substituted biphenyl derivative, 36x
CID 22336121
2-Methyl-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 6492091
Substituted biphenyl derivative, 36y
CID 44592693
2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
4-[({3-[3-Benzoyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}Amino)Methyl]Benzoic Acid
CID 23648480
2-[(Cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 44631844
[4-[3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 3,5-dimethylbenzoate
CID 70833120
Methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate
CID 71282961
2-[(Pyridin-3-ylmethyl)amino]benzoic acid
CID 3442459
2-Methyl-3-[(pyridin-4-ylmethyl)-amino]-benzoic acid
CID 6492090

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid (CID 58508447) is 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid is Cc1ccccc1-c1ccc(C(=O)O)c(NC(=O)c2cncc(-c3ccccc3)c2)c1.
What is the InChIKey of 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is BIQZQFUAIKWBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-17-7-5-6-10-22(17)19-11-12-23(26(30)31)24(14-19)28-25(29)21-13-20(15-27-16-21)18-8-3-2-4-9-18/h2-16H,1H3,(H,28,29)(H,30,31).
What are the key properties of 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 408.46 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 58508447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).