4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one

C14H21N3O — CID 20589951

IUPAC4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(Cc2cccnc2)CCCC1C
InChIInChI=1S/C14H21N3O/c1-11-5-4-8-17(14(18)13(11)15-2)10-12-6-3-7-16-9-12/h3,6-7,9,11,13,15H,4-5,8,10H2,1-2H3
InChIKeyFBHSYOLKMFPWSV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds3

About 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one

4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one (PubChem CID 20589951) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one
PubChem CID20589951
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(Cc2cccnc2)CCCC1C
InChIInChI=1S/C14H21N3O/c1-11-5-4-8-17(14(18)13(11)15-2)10-12-6-3-7-16-9-12/h3,6-7,9,11,13,15H,4-5,8,10H2,1-2H3
InChIKeyFBHSYOLKMFPWSV-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one 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-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one
CID 20589966
3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881794
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
CID 117013986
(8R)-4-(cyclobutylmethyl)-3-methyl-8-(methylamino)-8-phenyl-1-(pyridin-3-ylmethyl)-azacycloundecan-2-one
CID 130247131
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
N,6,6-trimethyl-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 117021082
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one?
The IUPAC name of 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one (CID 20589951) is 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one.
What is the SMILES notation for 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one?
The canonical SMILES for 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one is CNC1C(=O)N(Cc2cccnc2)CCCC1C.
What is the InChIKey of 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one?
The InChIKey is FBHSYOLKMFPWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-4-8-17(14(18)13(11)15-2)10-12-6-3-7-16-9-12/h3,6-7,9,11,13,15H,4-5,8,10H2,1-2H3.
What are the key properties of 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one?
4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one is sourced from PubChem (CID 20589951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).