4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide

C15H19N3O — CID 106609443

IUPAC4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O/c1-2-18(11-14-4-3-9-17-14)15(19)13-7-5-12(10-16)6-8-13/h5-8,14,17H,2-4,9,11H2,1H3
InChIKeyDVHAFSWQYBLGKD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds4

About 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide

4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609443) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609443
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O/c1-2-18(11-14-4-3-9-17-14)15(19)13-7-5-12(10-16)6-8-13/h5-8,14,17H,2-4,9,11H2,1H3
InChIKeyDVHAFSWQYBLGKD-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)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-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106609254
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
CID 106626088
N-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106609503

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609443) is 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC1CCCN1)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is DVHAFSWQYBLGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18(11-14-4-3-9-17-14)15(19)13-7-5-12(10-16)6-8-13/h5-8,14,17H,2-4,9,11H2,1H3.
What are the key properties of 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).