1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide

C20H27N3OS — CID 72871856

IUPAC1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
SMILESCc1ccc(CN(Cc2ccccn2)C(=O)C2CCCCCN2C)s1
InChIInChI=1S/C20H27N3OS/c1-16-10-11-18(25-16)15-23(14-17-8-5-6-12-21-17)20(24)19-9-4-3-7-13-22(19)2/h5-6,8,10-12,19H,3-4,7,9,13-15H2,1-2H3
InChIKeyCUCLPGVKWXHQID-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.85
Rot. Bonds5

About 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide

1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide (PubChem CID 72871856) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
PubChem CID72871856
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
SMILESCc1ccc(CN(Cc2ccccn2)C(=O)C2CCCCCN2C)s1
InChIInChI=1S/C20H27N3OS/c1-16-10-11-18(25-16)15-23(14-17-8-5-6-12-21-17)20(24)19-9-4-3-7-13-22(19)2/h5-6,8,10-12,19H,3-4,7,9,13-15H2,1-2H3
InChIKeyCUCLPGVKWXHQID-UHFFFAOYSA-N
XLogP3.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide with MolForge

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Related Compounds

5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
(4-Cyclobutyl-1,4-diazepan-1-yl)(5-(phenylthio)pyridin-2-yl)methanone
CID 24771015
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 3950572
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 4307489
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 809988
N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide
CID 2813204
N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 4784167
3-[(2-Pyridin-2-yl-1,3-thiazol-4-yl)methylamino]azepan-2-one
CID 43782031
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[5-(2-pyridyl)-2-thienyl]ethane-1,2-dione
CID 44191578
N-cyclopropyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 45796559
N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 45862932
N-methyl-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]thiophene-2-carboxamide
CID 45878304

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide (CID 72871856) is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide is Cc1ccc(CN(Cc2ccccn2)C(=O)C2CCCCCN2C)s1.
What is the InChIKey of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide?
The InChIKey is CUCLPGVKWXHQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-16-10-11-18(25-16)15-23(14-17-8-5-6-12-21-17)20(24)19-9-4-3-7-13-22(19)2/h5-6,8,10-12,19H,3-4,7,9,13-15H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide?
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 72871856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).