N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide

C25H22N4O2 — CID 42868656

IUPACN-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
SMILESN#Cc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C25H22N4O2/c26-17-20-9-4-5-10-21(20)18-28-15-6-16-29(25(28)31)23-13-11-22(12-14-23)27-24(30)19-7-2-1-3-8-19/h1-5,7-14H,6,15-16,18H2,(H,27,30)
InChIKeyVRSSATROOOWNSD-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.64
Rot. Bonds5

About N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide

N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (PubChem CID 42868656) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
PubChem CID42868656
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
SMILESN#Cc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C25H22N4O2/c26-17-20-9-4-5-10-21(20)18-28-15-6-16-29(25(28)31)23-13-11-22(12-14-23)27-24(30)19-7-2-1-3-8-19/h1-5,7-14H,6,15-16,18H2,(H,27,30)
InChIKeyVRSSATROOOWNSD-UHFFFAOYSA-N
XLogP4.64
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868655
1-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-ethylurea
CID 42869050
N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 42868661
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylbenzamide
CID 46070002
3-methoxy-N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868692
N-[4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-cyanobenzamide
CID 42868978
N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46156673
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide
CID 42849025
N-[4-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-cyanobenzamide
CID 46069500
N-[3-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46069991
N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide
CID 42849009

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?
The IUPAC name of N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (CID 42868656) is N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is N#Cc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O.
What is the InChIKey of N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?
The InChIKey is VRSSATROOOWNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c26-17-20-9-4-5-10-21(20)18-28-15-6-16-29(25(28)31)23-13-11-22(12-14-23)27-24(30)19-7-2-1-3-8-19/h1-5,7-14H,6,15-16,18H2,(H,27,30).
What are the key properties of N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?
N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide has a molecular weight of 410.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is sourced from PubChem (CID 42868656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).