N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide

C17H25N3O4S — CID 128992384

IUPACN-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C17H25N3O4S/c1-25(23,24)20(13-5-2-6-13)14-7-4-11-19(12-9-14)17(22)15-8-3-10-18-16(15)21/h3,8,10,13-14H,2,4-7,9,11-12H2,1H3,(H,18,21)
InChIKeyDGPHZVAQVLKJIJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.18
Rot. Bonds4

About N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide

N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide (PubChem CID 128992384) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide
PubChem CID128992384
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C17H25N3O4S/c1-25(23,24)20(13-5-2-6-13)14-7-4-11-19(12-9-14)17(22)15-8-3-10-18-16(15)21/h3,8,10,13-14H,2,4-7,9,11-12H2,1H3,(H,18,21)
InChIKeyDGPHZVAQVLKJIJ-UHFFFAOYSA-N
XLogP1.18
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-N-[(4R)-1-(3-methylbenzoyl)azepan-4-yl]methanesulfonamide
CID 129333224
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919707
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95765435
3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide
CID 129343325
3-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 115775390
3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 111109373
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
3-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 70747663
3-(4-pyridin-2-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 71798576

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide?
The IUPAC name of N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide (CID 128992384) is N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide is CS(=O)(=O)N(C1CCC1)C1CCCN(C(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide?
The InChIKey is DGPHZVAQVLKJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-25(23,24)20(13-5-2-6-13)14-7-4-11-19(12-9-14)17(22)15-8-3-10-18-16(15)21/h3,8,10,13-14H,2,4-7,9,11-12H2,1H3,(H,18,21).
What are the key properties of N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide?
N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide is sourced from PubChem (CID 128992384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).