4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide

C17H26N4O3S — CID 129004395

IUPAC4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C17H26N4O3S/c1-25(23,24)21(15-6-2-7-15)16-8-4-11-20(12-9-16)17(22)19-14-5-3-10-18-13-14/h3,5,10,13,15-16H,2,4,6-9,11-12H2,1H3,(H,19,22)
InChIKeyWPEZQCKUOMKPRO-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.28
Rot. Bonds4

About 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide

4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide (PubChem CID 129004395) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide.

Molecular Properties

Compound Name4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide
PubChem CID129004395
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C17H26N4O3S/c1-25(23,24)21(15-6-2-7-15)16-8-4-11-20(12-9-16)17(22)19-14-5-3-10-18-13-14/h3,5,10,13,15-16H,2,4,6-9,11-12H2,1H3,(H,19,22)
InChIKeyWPEZQCKUOMKPRO-UHFFFAOYSA-N
XLogP2.28
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[cyclobutyl(methylsulfonyl)amino]-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
CID 128996295
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028
3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 119105538
4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 71879750
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883942
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide
CID 129401003

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide?
The IUPAC name of 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide (CID 129004395) is 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide.
What is the SMILES notation for 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide?
The canonical SMILES for 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide is CS(=O)(=O)N(C1CCC1)C1CCCN(C(=O)Nc2cccnc2)CC1.
What is the InChIKey of 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide?
The InChIKey is WPEZQCKUOMKPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-25(23,24)21(15-6-2-7-15)16-8-4-11-20(12-9-16)17(22)19-14-5-3-10-18-13-14/h3,5,10,13,15-16H,2,4,6-9,11-12H2,1H3,(H,19,22).
What are the key properties of 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide?
4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide is sourced from PubChem (CID 129004395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).