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

C10H13N3O2 — CID 106110856

IUPAC3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCOC1CNc2nc(C)ccc2NC1=O
InChIInChI=1S/C10H13N3O2/c1-6-3-4-7-9(12-6)11-5-8(15-2)10(14)13-7/h3-4,8H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyIOZWNNWJZOBDGI-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.77
Rot. Bonds1

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

3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 106110856) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
PubChem CID106110856
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCOC1CNc2nc(C)ccc2NC1=O
InChIInChI=1S/C10H13N3O2/c1-6-3-4-7-9(12-6)11-5-8(15-2)10(14)13-7/h3-4,8H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyIOZWNNWJZOBDGI-UHFFFAOYSA-N
XLogP0.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (CID 106110856) is 3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is COC1CNc2nc(C)ccc2NC1=O.
What is the InChIKey of 3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is IOZWNNWJZOBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-3-4-7-9(12-6)11-5-8(15-2)10(14)13-7/h3-4,8H,5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 106110856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).