11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C19H19N5O2 — CID 67888237

IUPAC11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CC2CN(C(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC21
InChIInChI=1S/C19H19N5O2/c1-22-9-12-10-23(11-16(12)22)19(26)24-15-7-3-2-5-13(15)18(25)21-14-6-4-8-20-17(14)24/h2-8,12,16H,9-11H2,1H3,(H,21,25)
InChIKeyVNIWLZBNGJVJKP-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.15
Rot. Bonds

About 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 67888237) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID67888237
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CC2CN(C(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC21
InChIInChI=1S/C19H19N5O2/c1-22-9-12-10-23(11-16(12)22)19(26)24-15-7-3-2-5-13(15)18(25)21-14-6-4-8-20-17(14)24/h2-8,12,16H,9-11H2,1H3,(H,21,25)
InChIKeyVNIWLZBNGJVJKP-UHFFFAOYSA-N
XLogP2.15
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one with MolForge

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Related Compounds

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Pirenzepine Hydrochloride
CID 71405
11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 120053
AQ-RA 741
CID 129989
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
Tripitramine
CID 132947
AF-DX-384
CID 119357
Propizepine
CID 112029
N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453243
N11-Isopropyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453256
N11-Ethyl-7-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453273

Frequently Asked Questions

What is the IUPAC name of 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (CID 67888237) is 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is CN1CC2CN(C(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC21.
What is the InChIKey of 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is VNIWLZBNGJVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-22-9-12-10-23(11-16(12)22)19(26)24-15-7-3-2-5-13(15)18(25)21-14-6-4-8-20-17(14)24/h2-8,12,16H,9-11H2,1H3,(H,21,25).
What are the key properties of 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 349.39 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 67888237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).