1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide

C23H27N5O3 — CID 92635587

IUPAC1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide
SMILESCCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCC4)c3)ccc21
InChIInChI=1S/C23H27N5O3/c1-3-28-15(2)24-19-12-18(9-10-20(19)28)26-23(31)16-8-11-22(30)27(13-16)14-21(29)25-17-6-4-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyGYPLLBXVYOUCFZ-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide

1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide (PubChem CID 92635587) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide
PubChem CID92635587
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide
SMILESCCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCC4)c3)ccc21
InChIInChI=1S/C23H27N5O3/c1-3-28-15(2)24-19-12-18(9-10-20(19)28)26-23(31)16-8-11-22(30)27(13-16)14-21(29)25-17-6-4-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyGYPLLBXVYOUCFZ-UHFFFAOYSA-N
XLogP2.84
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-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-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92635811
1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 92635651
1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 92635565
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92634610
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246999
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 110247005
N-(1-ethyl-2-methylbenzimidazol-5-yl)-2-pyrazol-1-ylacetamide
CID 46981380
1-[3-(cyclohexylamino)-3-oxopropyl]-2-methyl-N-[(3-methylphenyl)methyl]benzimidazole-5-carboxamide
CID 50842408
1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
CID 9267921
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide (CID 92635587) is 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide is CCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCC4)c3)ccc21.
What is the InChIKey of 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide?
The InChIKey is GYPLLBXVYOUCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-3-28-15(2)24-19-12-18(9-10-20(19)28)26-23(31)16-8-11-22(30)27(13-16)14-21(29)25-17-6-4-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide?
1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).