N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide

C19H17N3O2 — CID 95334504

IUPACN-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H17N3O2/c20-11-15-7-4-8-16(9-15)19(24)21-17-10-18(23)22(13-17)12-14-5-2-1-3-6-14/h1-9,17H,10,12-13H2,(H,21,24)/t17-/m1/s1
InChIKeyNZJFQWOOHMSUNB-QGZVFWFLSA-N
MW319.36 g/mol
LogP2.09
Rot. Bonds4

About N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide

N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide (PubChem CID 95334504) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
PubChem CID95334504
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H17N3O2/c20-11-15-7-4-8-16(9-15)19(24)21-17-10-18(23)22(13-17)12-14-5-2-1-3-6-14/h1-9,17H,10,12-13H2,(H,21,24)/t17-/m1/s1
InChIKeyNZJFQWOOHMSUNB-QGZVFWFLSA-N
XLogP2.09
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide 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

3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide
CID 56908840
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 95327025
[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 3-cyanobenzoate
CID 96519659
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 42528068
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95335220
N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
CID 56826631
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 95594104
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
CID 95324569
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68580895
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide
CID 124891971
4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 108876487
3-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]benzonitrile
CID 168709546

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide?
The IUPAC name of N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide (CID 95334504) is N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide.
What is the SMILES notation for N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide?
The canonical SMILES for N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide is N#Cc1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1.
What is the InChIKey of N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide?
The InChIKey is NZJFQWOOHMSUNB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-11-15-7-4-8-16(9-15)19(24)21-17-10-18(23)22(13-17)12-14-5-2-1-3-6-14/h1-9,17H,10,12-13H2,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide?
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide has a molecular weight of 319.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide is sourced from PubChem (CID 95334504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).