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

C26H43N3O3 — CID 53299439

IUPAC2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCC2CCCCC2)CC(C(=O)N2CCCCCC2)=C1C
InChIInChI=1S/C26H43N3O3/c1-3-4-16-29-20(2)23(26(32)28-14-10-5-6-11-15-28)17-22(25(29)31)18-24(30)27-19-21-12-8-7-9-13-21/h21-22H,3-19H2,1-2H3,(H,27,30)
InChIKeyVYJISNCHRDBLIR-UHFFFAOYSA-N
MW445.65 g/mol
LogP4.40
Rot. Bonds8

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

2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 53299439) has the molecular formula C26H43N3O3 and a molecular weight of 445.65 g/mol. Its IUPAC name is 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID53299439
Molecular FormulaC26H43N3O3
Molecular Weight445.65 g/mol
Exact Mass445.33
IUPAC Name2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCC2CCCCC2)CC(C(=O)N2CCCCCC2)=C1C
InChIInChI=1S/C26H43N3O3/c1-3-4-16-29-20(2)23(26(32)28-14-10-5-6-11-15-28)17-22(25(29)31)18-24(30)27-19-21-12-8-7-9-13-21/h21-22H,3-19H2,1-2H3,(H,27,30)
InChIKeyVYJISNCHRDBLIR-UHFFFAOYSA-N
XLogP4.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.65
LogP ≤ 54.40
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-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide (CID 53299439) is 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide is CCCCN1C(=O)C(CC(=O)NCC2CCCCC2)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-(cyclohexylmethyl)acetamide?
The InChIKey is VYJISNCHRDBLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O3/c1-3-4-16-29-20(2)23(26(32)28-14-10-5-6-11-15-28)17-22(25(29)31)18-24(30)27-19-21-12-8-7-9-13-21/h21-22H,3-19H2,1-2H3,(H,27,30).
What are the key properties of 2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide?
2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 445.65 g/mol, XLogP of 4.40, 8 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-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 53299439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).