4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid

C14H11ClN2O3 — CID 81226642

IUPAC4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cnccc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-8-6-9(14(19)20)2-3-12(8)17-13(18)10-7-16-5-4-11(10)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyUCWXLCHHLXUZRP-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

About 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid

4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 81226642) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
PubChem CID81226642
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cnccc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-8-6-9(14(19)20)2-3-12(8)17-13(18)10-7-16-5-4-11(10)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyUCWXLCHHLXUZRP-UHFFFAOYSA-N
XLogP2.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 81228538
4-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 81227385
4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105380758
4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid
CID 78319441

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid (CID 81226642) is 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1cnccc1Cl.
What is the InChIKey of 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is UCWXLCHHLXUZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-6-9(14(19)20)2-3-12(8)17-13(18)10-7-16-5-4-11(10)15/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid?
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid has a molecular weight of 290.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 81226642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).