11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

C19H19N5O2 — CID 54109989

IUPAC11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCN1CC2NCC2(C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1
InChIInChI=1S/C19H19N5O2/c1-23-9-15-19(11-23,10-21-15)18(26)24-14-7-3-2-6-13(14)22-17(25)12-5-4-8-20-16(12)24/h2-8,15,21H,9-11H2,1H3,(H,22,25)
InChIKeyNGKKPJLSHHDJNG-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.22
Rot. Bonds1

About 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (PubChem CID 54109989) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
PubChem CID54109989
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCN1CC2NCC2(C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1
InChIInChI=1S/C19H19N5O2/c1-23-9-15-19(11-23,10-21-15)18(26)24-14-7-3-2-6-13(14)22-17(25)12-5-4-8-20-16(12)24/h2-8,15,21H,9-11H2,1H3,(H,22,25)
InChIKeyNGKKPJLSHHDJNG-UHFFFAOYSA-N
XLogP1.22
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The IUPAC name of 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (CID 54109989) is 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.
What is the SMILES notation for 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The canonical SMILES for 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is CN1CC2NCC2(C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1.
What is the InChIKey of 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The InChIKey is NGKKPJLSHHDJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-23-9-15-19(11-23,10-21-15)18(26)24-14-7-3-2-6-13(14)22-17(25)12-5-4-8-20-16(12)24/h2-8,15,21H,9-11H2,1H3,(H,22,25).
What are the key properties of 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one has a molecular weight of 349.39 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is sourced from PubChem (CID 54109989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).