N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H22N4O2 — CID 50970736

IUPACN-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cnc2ccccn12
InChIInChI=1S/C21H22N4O2/c26-20(18-15-22-19-11-5-8-14-25(18)19)23-17-10-4-3-9-16(17)21(27)24-12-6-1-2-7-13-24/h3-5,8-11,14-15H,1-2,6-7,12-13H2,(H,23,26)
InChIKeyJSPNVLPEMQWZBU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.60
Rot. Bonds3

About N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 50970736) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID50970736
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cnc2ccccn12
InChIInChI=1S/C21H22N4O2/c26-20(18-15-22-19-11-5-8-14-25(18)19)23-17-10-4-3-9-16(17)21(27)24-12-6-1-2-7-13-24/h3-5,8-11,14-15H,1-2,6-7,12-13H2,(H,23,26)
InChIKeyJSPNVLPEMQWZBU-UHFFFAOYSA-N
XLogP3.60
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 97226980
N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 17420584
N-[2-(piperidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55686867
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 16547444
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46471244

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 50970736) is N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cnc2ccccn12.
What is the InChIKey of N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JSPNVLPEMQWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(18-15-22-19-11-5-8-14-25(18)19)23-17-10-4-3-9-16(17)21(27)24-12-6-1-2-7-13-24/h3-5,8-11,14-15H,1-2,6-7,12-13H2,(H,23,26).
What are the key properties of N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 50970736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).