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

C14H21N3O — CID 20590041

IUPAC5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one
SMILESCNC1CC(C)CCN(Cc2ccccn2)C1=O
InChIInChI=1S/C14H21N3O/c1-11-6-8-17(14(18)13(9-11)15-2)10-12-5-3-4-7-16-12/h3-5,7,11,13,15H,6,8-10H2,1-2H3
InChIKeyUMPOXQFUGMGRTK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds3

About 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one

5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one (PubChem CID 20590041) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one
PubChem CID20590041
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one
SMILESCNC1CC(C)CCN(Cc2ccccn2)C1=O
InChIInChI=1S/C14H21N3O/c1-11-6-8-17(14(18)13(9-11)15-2)10-12-5-3-4-7-16-12/h3-5,7,11,13,15H,6,8-10H2,1-2H3
InChIKeyUMPOXQFUGMGRTK-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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one?
The IUPAC name of 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one (CID 20590041) is 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one?
The canonical SMILES for 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one is CNC1CC(C)CCN(Cc2ccccn2)C1=O.
What is the InChIKey of 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one?
The InChIKey is UMPOXQFUGMGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-6-8-17(14(18)13(9-11)15-2)10-12-5-3-4-7-16-12/h3-5,7,11,13,15H,6,8-10H2,1-2H3.
What are the key properties of 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one?
5-methyl-3-(methylamino)-1-(pyridin-2-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 5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 20590041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).