5-methyl-2-(pyridine-4-carbonylamino)benzoic acid

C14H12N2O3 — CID 24701556

IUPAC5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
SMILESCc1ccc(NC(=O)c2ccncc2)c(C(=O)O)c1
InChIInChI=1S/C14H12N2O3/c1-9-2-3-12(11(8-9)14(18)19)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyKFUPCISHLGMGBU-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.34
Rot. Bonds3

About 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid

5-methyl-2-(pyridine-4-carbonylamino)benzoic acid (PubChem CID 24701556) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
PubChem CID24701556
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
SMILESCc1ccc(NC(=O)c2ccncc2)c(C(=O)O)c1
InChIInChI=1S/C14H12N2O3/c1-9-2-3-12(11(8-9)14(18)19)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyKFUPCISHLGMGBU-UHFFFAOYSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzoic acid
CID 106752492
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid
CID 110488447
5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24702059
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
CID 63021015
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
2-[(3-amino-4-bromobenzoyl)amino]-5-methylbenzoic acid
CID 107812978
5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid
CID 62515343

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid?
The IUPAC name of 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid (CID 24701556) is 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid?
The canonical SMILES for 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid is Cc1ccc(NC(=O)c2ccncc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid?
The InChIKey is KFUPCISHLGMGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-2-3-12(11(8-9)14(18)19)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid?
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyridine-4-carbonylamino)benzoic acid is sourced from PubChem (CID 24701556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).