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

C10H13N3O2 — CID 70979685

IUPAC7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCOc1ccc2c(n1)NCC(C)C(=O)N2
InChIInChI=1S/C10H13N3O2/c1-6-5-11-9-7(12-10(6)14)3-4-8(13-9)15-2/h3-4,6H,5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyJRRRCWIYAKXZGN-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.09
Rot. Bonds1

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

7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 70979685) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
PubChem CID70979685
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCOc1ccc2c(n1)NCC(C)C(=O)N2
InChIInChI=1S/C10H13N3O2/c1-6-5-11-9-7(12-10(6)14)3-4-8(13-9)15-2/h3-4,6H,5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyJRRRCWIYAKXZGN-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (CID 70979685) is 7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is COc1ccc2c(n1)NCC(C)C(=O)N2.
What is the InChIKey of 7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is JRRRCWIYAKXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-5-11-9-7(12-10(6)14)3-4-8(13-9)15-2/h3-4,6H,5H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
7-methoxy-3-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 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 70979685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).