2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide

C24H35N3O4 — CID 53299434

IUPAC2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCc2ccco2)CC(C(=O)N2CCCCCC2)=C1C
InChIInChI=1S/C24H35N3O4/c1-3-4-13-27-18(2)21(24(30)26-11-7-5-6-8-12-26)15-19(23(27)29)16-22(28)25-17-20-10-9-14-31-20/h9-10,14,19H,3-8,11-13,15-17H2,1-2H3,(H,25,28)
InChIKeyKFNRGSOJWOOCLI-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.61
Rot. Bonds8

About 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide

2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 53299434) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID53299434
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCc2ccco2)CC(C(=O)N2CCCCCC2)=C1C
InChIInChI=1S/C24H35N3O4/c1-3-4-13-27-18(2)21(24(30)26-11-7-5-6-8-12-26)15-19(23(27)29)16-22(28)25-17-20-10-9-14-31-20/h9-10,14,19H,3-8,11-13,15-17H2,1-2H3,(H,25,28)
InChIKeyKFNRGSOJWOOCLI-UHFFFAOYSA-N
XLogP3.61
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)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

3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904922
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-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46902858
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53053398
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
N-(furan-2-ylmethyl)-2-[(6S)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]acetamide
CID 95791909
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide (CID 53299434) is 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide is CCCCN1C(=O)C(CC(=O)NCc2ccco2)CC(C(=O)N2CCCCCC2)=C1C.
What is the InChIKey of 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KFNRGSOJWOOCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-3-4-13-27-18(2)21(24(30)26-11-7-5-6-8-12-26)15-19(23(27)29)16-22(28)25-17-20-10-9-14-31-20/h9-10,14,19H,3-8,11-13,15-17H2,1-2H3,(H,25,28).
What are the key properties of 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide?
2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 429.56 g/mol, XLogP of 3.61, 8 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-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53299434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).