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

C20H21N3O — CID 70778468

IUPAC2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)c1ccccc1C#N
InChIInChI=1S/C20H21N3O/c1-22(20(24)19-10-6-5-7-17(19)13-21)14-16-11-12-23(15-16)18-8-3-2-4-9-18/h2-10,16H,11-12,14-15H2,1H3
InChIKeyGZJSFXVUJFMBAB-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.16
Rot. Bonds4

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

2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 70778468) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID70778468
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)c1ccccc1C#N
InChIInChI=1S/C20H21N3O/c1-22(20(24)19-10-6-5-7-17(19)13-21)14-16-11-12-23(15-16)18-8-3-2-4-9-18/h2-10,16H,11-12,14-15H2,1H3
InChIKeyGZJSFXVUJFMBAB-UHFFFAOYSA-N
XLogP3.16
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
N-methyl-2-(1-methylimidazol-2-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97131034
N-methyl-2-(1-methylimidazol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70744638
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-cyano-N-methylbenzamide
CID 72924461
3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 96581020
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97133696
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 70765652
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 70778468) is 2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is CN(CC1CCN(c2ccccc2)C1)C(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is GZJSFXVUJFMBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22(20(24)19-10-6-5-7-17(19)13-21)14-16-11-12-23(15-16)18-8-3-2-4-9-18/h2-10,16H,11-12,14-15H2,1H3.
What are the key properties of 2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 70778468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).