N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide

C22H15ClN4O — CID 56507758

IUPACN-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESN#CC(c1ccccc1)c1ccc(NC(=O)c2ccc3nccn3c2)cc1Cl
InChIInChI=1S/C22H15ClN4O/c23-20-12-17(7-8-18(20)19(13-24)15-4-2-1-3-5-15)26-22(28)16-6-9-21-25-10-11-27(21)14-16/h1-12,14,19H,(H,26,28)
InChIKeyLPLUPAWTQIGWJK-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.90
Rot. Bonds4

About N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 56507758) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID56507758
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC NameN-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESN#CC(c1ccccc1)c1ccc(NC(=O)c2ccc3nccn3c2)cc1Cl
InChIInChI=1S/C22H15ClN4O/c23-20-12-17(7-8-18(20)19(13-24)15-4-2-1-3-5-15)26-22(28)16-6-9-21-25-10-11-27(21)14-16/h1-12,14,19H,(H,26,28)
InChIKeyLPLUPAWTQIGWJK-UHFFFAOYSA-N
XLogP4.90
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenyldiazenylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 52880425
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55727357
N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]-2,6-difluorobenzamide
CID 40649204
N-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704051
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55727047
N-(3,5-dimethylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704038
2-bromo-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5-fluorobenzamide
CID 55727326
N-(2,3-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704129
2-(4-acetylphenoxy)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide
CID 46479747
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46479777
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55780340
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide
CID 55727295

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 56507758) is N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide is N#CC(c1ccccc1)c1ccc(NC(=O)c2ccc3nccn3c2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LPLUPAWTQIGWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c23-20-12-17(7-8-18(20)19(13-24)15-4-2-1-3-5-15)26-22(28)16-6-9-21-25-10-11-27(21)14-16/h1-12,14,19H,(H,26,28).
What are the key properties of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 56507758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).