3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

C11H15N3O — CID 81136874

IUPAC3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCCC1CNc2nc(C)ccc2NC1=O
InChIInChI=1S/C11H15N3O/c1-3-8-6-12-10-9(14-11(8)15)5-4-7(2)13-10/h4-5,8H,3,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNBSBZCCZRWSRDV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds1

About 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 81136874) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
PubChem CID81136874
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCCC1CNc2nc(C)ccc2NC1=O
InChIInChI=1S/C11H15N3O/c1-3-8-6-12-10-9(14-11(8)15)5-4-7(2)13-10/h4-5,8H,3,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNBSBZCCZRWSRDV-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (CID 81136874) is 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is CCC1CNc2nc(C)ccc2NC1=O.
What is the InChIKey of 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is NBSBZCCZRWSRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-8-6-12-10-9(14-11(8)15)5-4-7(2)13-10/h4-5,8H,3,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 81136874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).