3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid

C16H12ClN3O3 — CID 39164223

IUPAC3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1nc2ccc(Cl)cn2c1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H12ClN3O3/c1-9-14(20-8-11(17)5-6-13(20)18-9)15(21)19-12-4-2-3-10(7-12)16(22)23/h2-8H,1H3,(H,19,21)(H,22,23)
InChIKeyWWATUKDJKVNWBQ-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.25
Rot. Bonds3

About 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid

3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid (PubChem CID 39164223) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid
PubChem CID39164223
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1nc2ccc(Cl)cn2c1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H12ClN3O3/c1-9-14(20-8-11(17)5-6-13(20)18-9)15(21)19-12-4-2-3-10(7-12)16(22)23/h2-8H,1H3,(H,19,21)(H,22,23)
InChIKeyWWATUKDJKVNWBQ-UHFFFAOYSA-N
XLogP3.25
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)amino]benzoic acid
CID 43640030
3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 60657143
3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
CID 82798153
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648
3-[[6-(4-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193459
2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 80503406
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 43583203
N-[3-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 82530174
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethylfuran-3-carbonyl]amino]benzoic acid
CID 1267744

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid (CID 39164223) is 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid is Cc1nc2ccc(Cl)cn2c1C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is WWATUKDJKVNWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-9-14(20-8-11(17)5-6-13(20)18-9)15(21)19-12-4-2-3-10(7-12)16(22)23/h2-8H,1H3,(H,19,21)(H,22,23).
What are the key properties of 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid?
3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 329.74 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 39164223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).