benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate

C23H20N4O3 — CID 10250373

IUPACbenzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate
SMILESCN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccncc2)c2ccccc21
InChIInChI=1S/C23H20N4O3/c1-27-19-10-6-5-9-18(19)20(17-11-13-24-14-12-17)25-21(22(27)28)26-23(29)30-15-16-7-3-2-4-8-16/h2-14,21H,15H2,1H3,(H,26,29)
InChIKeyOIGOVEDFVGTINY-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.15
Rot. Bonds4

About benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate

benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate (PubChem CID 10250373) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate
PubChem CID10250373
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Namebenzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate
SMILESCN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccncc2)c2ccccc21
InChIInChI=1S/C23H20N4O3/c1-27-19-10-6-5-9-18(19)20(17-11-13-24-14-12-17)25-21(22(27)28)26-23(29)30-15-16-7-3-2-4-8-16/h2-14,21H,15H2,1H3,(H,26,29)
InChIKeyOIGOVEDFVGTINY-UHFFFAOYSA-N
XLogP3.15
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate 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 benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate?
The IUPAC name of benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate (CID 10250373) is benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate is CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccncc2)c2ccccc21.
What is the InChIKey of benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate?
The InChIKey is OIGOVEDFVGTINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-27-19-10-6-5-9-18(19)20(17-11-13-24-14-12-17)25-21(22(27)28)26-23(29)30-15-16-7-3-2-4-8-16/h2-14,21H,15H2,1H3,(H,26,29).
What are the key properties of benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate?
benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate has a molecular weight of 400.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate is sourced from PubChem (CID 10250373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).