2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid

C18H17N3O4 — CID 84561430

IUPAC2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid
SMILESCc1nc2ccccn2c1CCC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C18H17N3O4/c1-11-14(21-9-3-2-4-16(21)19-11)6-8-17(23)20-12-5-7-15(22)13(10-12)18(24)25/h2-5,7,9-10,22H,6,8H2,1H3,(H,20,23)(H,24,25)
InChIKeyNJDCQSUYOUXUIA-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.62
Rot. Bonds5

About 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid

2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid (PubChem CID 84561430) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid
PubChem CID84561430
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid
SMILESCc1nc2ccccn2c1CCC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C18H17N3O4/c1-11-14(21-9-3-2-4-16(21)19-11)6-8-17(23)20-12-5-7-15(22)13(10-12)18(24)25/h2-5,7,9-10,22H,6,8H2,1H3,(H,20,23)(H,24,25)
InChIKeyNJDCQSUYOUXUIA-UHFFFAOYSA-N
XLogP2.62
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84569585
N-(4-tert-butylphenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84569578
N-(4-ethylphenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84569581
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 84561480
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84569535
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)propanamide
CID 84563158
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2H-tetrazol-5-yl)propanamide
CID 84561942
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 84569514
N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide
CID 84561426
N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036587
N-(3-methoxypropyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84565197
2-hydroxy-5-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
CID 108808740

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid (CID 84561430) is 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid is Cc1nc2ccccn2c1CCC(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid?
The InChIKey is NJDCQSUYOUXUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-14(21-9-3-2-4-16(21)19-11)6-8-17(23)20-12-5-7-15(22)13(10-12)18(24)25/h2-5,7,9-10,22H,6,8H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid?
2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid has a molecular weight of 339.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid is sourced from PubChem (CID 84561430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).