4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

C16H13N3O — CID 3578021

IUPAC4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(C=Cc2cccnc2)=Nc2ccccc2N1
InChIInChI=1S/C16H13N3O/c20-16-10-13(8-7-12-4-3-9-17-11-12)18-14-5-1-2-6-15(14)19-16/h1-9,11H,10H2,(H,19,20)
InChIKeyHOUPCYIHAUIMND-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.21
Rot. Bonds2

About 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 3578021) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID3578021
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(C=Cc2cccnc2)=Nc2ccccc2N1
InChIInChI=1S/C16H13N3O/c20-16-10-13(8-7-12-4-3-9-17-11-12)18-14-5-1-2-6-15(14)19-16/h1-9,11H,10H2,(H,19,20)
InChIKeyHOUPCYIHAUIMND-UHFFFAOYSA-N
XLogP3.21
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (CID 3578021) is 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is O=C1CC(C=Cc2cccnc2)=Nc2ccccc2N1.
What is the InChIKey of 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is HOUPCYIHAUIMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16-10-13(8-7-12-4-3-9-17-11-12)18-14-5-1-2-6-15(14)19-16/h1-9,11H,10H2,(H,19,20).
What are the key properties of 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 263.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 3578021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).