N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C16H14ClN3O — CID 110703993

IUPACN-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2nccn2c1
InChIInChI=1S/C16H14ClN3O/c17-14-4-1-12(2-5-14)7-8-19-16(21)13-3-6-15-18-9-10-20(15)11-13/h1-6,9-11H,7-8H2,(H,19,21)
InChIKeyLLWINHKFLMNUNW-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.96
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 110703993) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID110703993
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2nccn2c1
InChIInChI=1S/C16H14ClN3O/c17-14-4-1-12(2-5-14)7-8-19-16(21)13-3-6-15-18-9-10-20(15)11-13/h1-6,9-11H,7-8H2,(H,19,21)
InChIKeyLLWINHKFLMNUNW-UHFFFAOYSA-N
XLogP2.96
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110704025
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704012
N-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70727068
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 72699526
N-(3-hydroxy-2,2-dimethylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110475104
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119619984
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70723086
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 110703993) is N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LLWINHKFLMNUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-4-1-12(2-5-14)7-8-19-16(21)13-3-6-15-18-9-10-20(15)11-13/h1-6,9-11H,7-8H2,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 110703993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).