3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid

C17H14ClN3O3 — CID 39164215

IUPAC3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C17H14ClN3O3/c1-10-2-3-11(17(23)24)6-14(10)20-16(22)7-13-9-21-8-12(18)4-5-15(21)19-13/h2-6,8-9H,7H2,1H3,(H,20,22)(H,23,24)
InChIKeyYASXAWDUZMALAY-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.18
Rot. Bonds4

About 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid

3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid (PubChem CID 39164215) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid
PubChem CID39164215
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C17H14ClN3O3/c1-10-2-3-11(17(23)24)6-14(10)20-16(22)7-13-9-21-8-12(18)4-5-15(21)19-13/h2-6,8-9H,7H2,1H3,(H,20,22)(H,23,24)
InChIKeyYASXAWDUZMALAY-UHFFFAOYSA-N
XLogP3.18
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
CID 893334
methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 171704011
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115625685
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110671985
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686353
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide
CID 78998419
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603
3-(5-chloropentanoylamino)-4-methylbenzoic acid
CID 43700873
2-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-methylaniline
CID 107634826

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid (CID 39164215) is 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)Cc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid?
The InChIKey is YASXAWDUZMALAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-10-2-3-11(17(23)24)6-14(10)20-16(22)7-13-9-21-8-12(18)4-5-15(21)19-13/h2-6,8-9H,7H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid?
3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid has a molecular weight of 343.77 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 39164215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).