5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide

C25H32FN3O3 — CID 26344354

IUPAC5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide
SMILESCC[C@@H](C)n1cc(C(=O)NCCc2cccc(F)c2)c(=O)c(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C25H32FN3O3/c1-3-18(2)29-16-21(24(31)27-12-11-19-9-8-10-20(26)15-19)23(30)22(17-29)25(32)28-13-6-4-5-7-14-28/h8-10,15-18H,3-7,11-14H2,1-2H3,(H,27,31)/t18-/m1/s1
InChIKeyWIBIGSVOXRTAEY-GOSISDBHSA-N
MW441.55 g/mol
LogP3.95
Rot. Bonds7

About 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide

5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide (PubChem CID 26344354) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide
PubChem CID26344354
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC Name5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide
SMILESCC[C@@H](C)n1cc(C(=O)NCCc2cccc(F)c2)c(=O)c(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C25H32FN3O3/c1-3-18(2)29-16-21(24(31)27-12-11-19-9-8-10-20(26)15-19)23(30)22(17-29)25(32)28-13-6-4-5-7-14-28/h8-10,15-18H,3-7,11-14H2,1-2H3,(H,27,31)/t18-/m1/s1
InChIKeyWIBIGSVOXRTAEY-GOSISDBHSA-N
XLogP3.95
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-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

5-(azepane-1-carbonyl)-1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-4-oxopyridine-3-carboxamide
CID 45214878
N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 45225393
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111395525
N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(furan-2-yl)ethyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45250873
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279
3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide
CID 45193580
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 31737743
5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 42471896

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide (CID 26344354) is 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide is CC[C@@H](C)n1cc(C(=O)NCCc2cccc(F)c2)c(=O)c(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide?
The InChIKey is WIBIGSVOXRTAEY-GOSISDBHSA-N. The full InChI is InChI=1S/C25H32FN3O3/c1-3-18(2)29-16-21(24(31)27-12-11-19-9-8-10-20(26)15-19)23(30)22(17-29)25(32)28-13-6-4-5-7-14-28/h8-10,15-18H,3-7,11-14H2,1-2H3,(H,27,31)/t18-/m1/s1.
What are the key properties of 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide?
5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 26344354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).