2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide

C27H40N4O3 — CID 51359422

IUPAC2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCC1=C(C(=O)N2CCCCCC2)CC(CC(=O)NCCCN(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H40N4O3/c1-21-24(27(34)30-16-9-4-5-10-17-30)18-23(19-25(32)28-14-11-15-29(2)3)26(33)31(21)20-22-12-7-6-8-13-22/h6-8,12-13,23H,4-5,9-11,14-20H2,1-3H3,(H,28,32)
InChIKeyYGMJPHIMOGHPTN-UHFFFAOYSA-N
MW468.64 g/mol
LogP3.17
Rot. Bonds9

About 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide

2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 51359422) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID51359422
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC Name2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCC1=C(C(=O)N2CCCCCC2)CC(CC(=O)NCCCN(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H40N4O3/c1-21-24(27(34)30-16-9-4-5-10-17-30)18-23(19-25(32)28-14-11-15-29(2)3)26(33)31(21)20-22-12-7-6-8-13-22/h6-8,12-13,23H,4-5,9-11,14-20H2,1-3H3,(H,28,32)
InChIKeyYGMJPHIMOGHPTN-UHFFFAOYSA-N
XLogP3.17
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide 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

2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 51359423
2-[5-(azepane-1-carbonyl)-1-(3-methoxypropyl)-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 53299453
2-[1-benzyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46903962
1-[(4-tert-butylphenyl)methyl]-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904916
1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904269
2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
CID 46904007
2-[5-(azepane-1-carbonyl)-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 53299456
1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 51359322
3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904914
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide (CID 51359422) is 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide is CC1=C(C(=O)N2CCCCCC2)CC(CC(=O)NCCCN(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is YGMJPHIMOGHPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O3/c1-21-24(27(34)30-16-9-4-5-10-17-30)18-23(19-25(32)28-14-11-15-29(2)3)26(33)31(21)20-22-12-7-6-8-13-22/h6-8,12-13,23H,4-5,9-11,14-20H2,1-3H3,(H,28,32).
What are the key properties of 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide?
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 468.64 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 51359422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).