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

C25H41N3O3 — CID 53299431

IUPAC2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide
SMILESCCCCN1C(=O)C(CC(=O)NC2CCCCC2)CC(C(=O)N2CCCCCC2)=C1C
InChIInChI=1S/C25H41N3O3/c1-3-4-16-28-19(2)22(25(31)27-14-10-5-6-11-15-27)17-20(24(28)30)18-23(29)26-21-12-8-7-9-13-21/h20-21H,3-18H2,1-2H3,(H,26,29)
InChIKeyKVQPWYDJJSFGSE-UHFFFAOYSA-N
MW431.62 g/mol
LogP4.15
Rot. Bonds7

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

2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide (PubChem CID 53299431) has the molecular formula C25H41N3O3 and a molecular weight of 431.62 g/mol. Its IUPAC name is 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide
PubChem CID53299431
Molecular FormulaC25H41N3O3
Molecular Weight431.62 g/mol
Exact Mass431.31
IUPAC Name2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide
SMILESCCCCN1C(=O)C(CC(=O)NC2CCCCC2)CC(C(=O)N2CCCCCC2)=C1C
InChIInChI=1S/C25H41N3O3/c1-3-4-16-28-19(2)22(25(31)27-14-10-5-6-11-15-27)17-20(24(28)30)18-23(29)26-21-12-8-7-9-13-21/h20-21H,3-18H2,1-2H3,(H,26,29)
InChIKeyKVQPWYDJJSFGSE-UHFFFAOYSA-N
XLogP4.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-cyclohexylacetamide?
The IUPAC name of 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide (CID 53299431) is 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide is CCCCN1C(=O)C(CC(=O)NC2CCCCC2)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-cyclohexylacetamide?
The InChIKey is KVQPWYDJJSFGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O3/c1-3-4-16-28-19(2)22(25(31)27-14-10-5-6-11-15-27)17-20(24(28)30)18-23(29)26-21-12-8-7-9-13-21/h20-21H,3-18H2,1-2H3,(H,26,29).
What are the key properties of 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide?
2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclohexylacetamide has a molecular weight of 431.62 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 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-cyclohexylacetamide is sourced from PubChem (CID 53299431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).