3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid

C17H14ClN3O3 — CID 99781385

IUPAC3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2c(Cl)nc3ccccn23)c1
InChIInChI=1S/C17H14ClN3O3/c18-15-14(21-9-2-1-6-13(21)20-15)16(22)19-8-7-11-4-3-5-12(10-11)17(23)24/h1-6,9-10H,7-8H2,(H,19,22)(H,23,24)
InChIKeyXRWXOGFMNOXVTN-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.66
Rot. Bonds5

About 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid

3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid (PubChem CID 99781385) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid
PubChem CID99781385
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2c(Cl)nc3ccccn23)c1
InChIInChI=1S/C17H14ClN3O3/c18-15-14(21-9-2-1-6-13(21)20-15)16(22)19-8-7-11-4-3-5-12(10-11)17(23)24/h1-6,9-10H,7-8H2,(H,19,22)(H,23,24)
InChIKeyXRWXOGFMNOXVTN-UHFFFAOYSA-N
XLogP2.66
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid with MolForge

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Related Compounds

3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate
CID 2349289
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
CID 63795812
N-[2-(furan-3-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90558299
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78897228
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
3-[2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]ethyl]benzoic acid
CID 63794751
3-[2-[[1-(2-chlorophenyl)triazole-4-carbonyl]amino]ethyl]benzoic acid
CID 167860031
2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681057
3-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethyl]benzoic acid
CID 63793372
2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 111484909

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid (CID 99781385) is 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid is O=C(O)c1cccc(CCNC(=O)c2c(Cl)nc3ccccn23)c1.
What is the InChIKey of 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is XRWXOGFMNOXVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-15-14(21-9-2-1-6-13(21)20-15)16(22)19-8-7-11-4-3-5-12(10-11)17(23)24/h1-6,9-10H,7-8H2,(H,19,22)(H,23,24).
What are the key properties of 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid?
3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 343.77 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 99781385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).