11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one

C13H11N3O — CID 175885244

IUPAC11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one
SMILESCc1cccc2c1-c1cccnc1NC(=O)N2
InChIInChI=1S/C13H11N3O/c1-8-4-2-6-10-11(8)9-5-3-7-14-12(9)16-13(17)15-10/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyBOBBRGQGWNQRGO-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.01
Rot. Bonds

About 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one

11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one (PubChem CID 175885244) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one.

Molecular Properties

Compound Name11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one
PubChem CID175885244
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one
SMILESCc1cccc2c1-c1cccnc1NC(=O)N2
InChIInChI=1S/C13H11N3O/c1-8-4-2-6-10-11(8)9-5-3-7-14-12(9)16-13(17)15-10/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyBOBBRGQGWNQRGO-UHFFFAOYSA-N
XLogP3.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one?
The IUPAC name of 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one (CID 175885244) is 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one.
What is the SMILES notation for 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one?
The canonical SMILES for 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one is Cc1cccc2c1-c1cccnc1NC(=O)N2.
What is the InChIKey of 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one?
The InChIKey is BOBBRGQGWNQRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-4-2-6-10-11(8)9-5-3-7-14-12(9)16-13(17)15-10/h2-7H,1H3,(H2,14,15,16,17).
What are the key properties of 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one?
11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one has a molecular weight of 225.25 g/mol, XLogP of 3.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one is sourced from PubChem (CID 175885244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).