N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide

C21H33N3O3 — CID 45498222

IUPACN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(C(=O)N2CCCCCC2)cn(C)c1=O
InChIInChI=1S/C21H33N3O3/c1-4-10-16(11-5-2)19(25)22-18-14-17(15-23(3)21(18)27)20(26)24-12-8-6-7-9-13-24/h14-16H,4-13H2,1-3H3,(H,22,25)
InChIKeyQFCOTUBMZRHYII-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.56
Rot. Bonds7

About N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide

N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide (PubChem CID 45498222) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide
PubChem CID45498222
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(C(=O)N2CCCCCC2)cn(C)c1=O
InChIInChI=1S/C21H33N3O3/c1-4-10-16(11-5-2)19(25)22-18-14-17(15-23(3)21(18)27)20(26)24-12-8-6-7-9-13-24/h14-16H,4-13H2,1-3H3,(H,22,25)
InChIKeyQFCOTUBMZRHYII-UHFFFAOYSA-N
XLogP3.56
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide?
The IUPAC name of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide (CID 45498222) is N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide.
What is the SMILES notation for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide?
The canonical SMILES for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cc(C(=O)N2CCCCCC2)cn(C)c1=O.
What is the InChIKey of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide?
The InChIKey is QFCOTUBMZRHYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-10-16(11-5-2)19(25)22-18-14-17(15-23(3)21(18)27)20(26)24-12-8-6-7-9-13-24/h14-16H,4-13H2,1-3H3,(H,22,25).
What are the key properties of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide?
N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide has a molecular weight of 375.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2-propylpentanamide is sourced from PubChem (CID 45498222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).