2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide

C18H23N3O — CID 125155884

IUPAC2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
SMILESN#Cc1ccccc1C(=O)NC[C@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C18H23N3O/c19-11-15-5-1-4-8-17(15)18(22)20-12-14-9-10-21(13-14)16-6-2-3-7-16/h1,4-5,8,14,16H,2-3,6-7,9-10,12-13H2,(H,20,22)/t14-/m1/s1
InChIKeyIDCKCLLLSASJCD-CQSZACIVSA-N
MW297.40 g/mol
LogP2.55
Rot. Bonds4

About 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide

2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide (PubChem CID 125155884) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
PubChem CID125155884
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
SMILESN#Cc1ccccc1C(=O)NC[C@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C18H23N3O/c19-11-15-5-1-4-8-17(15)18(22)20-12-14-9-10-21(13-14)16-6-2-3-7-16/h1,4-5,8,14,16H,2-3,6-7,9-10,12-13H2,(H,20,22)/t14-/m1/s1
InChIKeyIDCKCLLLSASJCD-CQSZACIVSA-N
XLogP2.55
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]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

N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 84597934
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-ethylsulfinylbenzamide
CID 146085428
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615089
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
CID 23723921
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide (CID 125155884) is 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide is N#Cc1ccccc1C(=O)NC[C@H]1CCN(C2CCCC2)C1.
What is the InChIKey of 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide?
The InChIKey is IDCKCLLLSASJCD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O/c19-11-15-5-1-4-8-17(15)18(22)20-12-14-9-10-21(13-14)16-6-2-3-7-16/h1,4-5,8,14,16H,2-3,6-7,9-10,12-13H2,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide?
2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 125155884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).