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

C15H19N3O — CID 54927964

IUPAC3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
SMILESCCN1CCC(CNC(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C15H19N3O/c1-2-18-7-6-13(11-18)10-17-15(19)14-5-3-4-12(8-14)9-16/h3-5,8,13H,2,6-7,10-11H2,1H3,(H,17,19)
InChIKeyLCALOVZTXMEHFG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.63
Rot. Bonds4

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

3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 54927964) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
PubChem CID54927964
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
SMILESCCN1CCC(CNC(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C15H19N3O/c1-2-18-7-6-13(11-18)10-17-15(19)14-5-3-4-12(8-14)9-16/h3-5,8,13H,2,6-7,10-11H2,1H3,(H,17,19)
InChIKeyLCALOVZTXMEHFG-UHFFFAOYSA-N
XLogP1.63
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108732
3-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide
CID 71979281
2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 84597934
N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 56708357
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 60855444
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63212001
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide (CID 54927964) is 3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide is CCN1CCC(CNC(=O)c2cccc(C#N)c2)C1.
What is the InChIKey of 3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is LCALOVZTXMEHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18-7-6-13(11-18)10-17-15(19)14-5-3-4-12(8-14)9-16/h3-5,8,13H,2,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of 3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 257.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 54927964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).