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

C17H25N3O3 — CID 45498220

IUPACN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(C(=O)N2CCCCCC2)cn(C)c1=O
InChIInChI=1S/C17H25N3O3/c1-3-8-15(21)18-14-11-13(12-19(2)17(14)23)16(22)20-9-6-4-5-7-10-20/h11-12H,3-10H2,1-2H3,(H,18,21)
InChIKeyPAKSAOPQWXWRTH-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.14
Rot. Bonds4

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

N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide (PubChem CID 45498220) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide
PubChem CID45498220
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(C(=O)N2CCCCCC2)cn(C)c1=O
InChIInChI=1S/C17H25N3O3/c1-3-8-15(21)18-14-11-13(12-19(2)17(14)23)16(22)20-9-6-4-5-7-10-20/h11-12H,3-10H2,1-2H3,(H,18,21)
InChIKeyPAKSAOPQWXWRTH-UHFFFAOYSA-N
XLogP2.14
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.14
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]butanamide?
The IUPAC name of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide (CID 45498220) is N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide.
What is the SMILES notation for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide?
The canonical SMILES for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide is CCCC(=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]butanamide?
The InChIKey is PAKSAOPQWXWRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-8-15(21)18-14-11-13(12-19(2)17(14)23)16(22)20-9-6-4-5-7-10-20/h11-12H,3-10H2,1-2H3,(H,18,21).
What are the key properties of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide?
N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]butanamide has a molecular weight of 319.41 g/mol, XLogP of 2.14, 4 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]butanamide is sourced from PubChem (CID 45498220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).