3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one

C11H15N3O — CID 115102065

IUPAC3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one
SMILESCC1NCCCN(c2ccccn2)C1=O
InChIInChI=1S/C11H15N3O/c1-9-11(15)14(8-4-7-12-9)10-5-2-3-6-13-10/h2-3,5-6,9,12H,4,7-8H2,1H3
InChIKeyPRZGVGUXSTVRTG-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.80
Rot. Bonds1

About 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one

3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one (PubChem CID 115102065) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one.

Molecular Properties

Compound Name3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one
PubChem CID115102065
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one
SMILESCC1NCCCN(c2ccccn2)C1=O
InChIInChI=1S/C11H15N3O/c1-9-11(15)14(8-4-7-12-9)10-5-2-3-6-13-10/h2-3,5-6,9,12H,4,7-8H2,1H3
InChIKeyPRZGVGUXSTVRTG-UHFFFAOYSA-N
XLogP0.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-pyridin-2-yl-1,4-diazepan-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

3-methyl-1-(pyridin-2-ylmethyl)-1,4-diazocan-2-one
CID 117016241
(3S)-3-bromo-1-pyridin-2-ylpyrrolidin-2-one
CID 70147922
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one
CID 171550384
5-methyl-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 102338604
4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one
CID 23326517
3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one
CID 67303473
3-methyl-1-(2-pyridin-4-ylethyl)-1,4-diazepan-2-one
CID 63258689
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
7-methyl-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 163037878
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one
CID 10560680

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one?
The IUPAC name of 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one (CID 115102065) is 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one.
What is the SMILES notation for 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one?
The canonical SMILES for 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one is CC1NCCCN(c2ccccn2)C1=O.
What is the InChIKey of 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one?
The InChIKey is PRZGVGUXSTVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-11(15)14(8-4-7-12-9)10-5-2-3-6-13-10/h2-3,5-6,9,12H,4,7-8H2,1H3.
What are the key properties of 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one?
3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one is sourced from PubChem (CID 115102065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).