4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide

C15H19N3O — CID 47026894

IUPAC4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(C#N)cc1)N1CCCC1
InChIInChI=1S/C15H19N3O/c1-12(18-8-2-3-9-18)11-17-15(19)14-6-4-13(10-16)5-7-14/h4-7,12H,2-3,8-9,11H2,1H3,(H,17,19)
InChIKeyDEZOJFDOQGQQGN-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds4

About 4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide

4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 47026894) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
PubChem CID47026894
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(C#N)cc1)N1CCCC1
InChIInChI=1S/C15H19N3O/c1-12(18-8-2-3-9-18)11-17-15(19)14-6-4-13(10-16)5-7-14/h4-7,12H,2-3,8-9,11H2,1H3,(H,17,19)
InChIKeyDEZOJFDOQGQQGN-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

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Related Compounds

4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 110301675
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
N-[(2S)-2-amino-3-methylbutyl]-4-cyanobenzamide;hydrochloride
CID 69484483
3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid
CID 67056388
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 110301572
(3S)-3-[[(4-cyanobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492868
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide (CID 47026894) is 4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide is CC(CNC(=O)c1ccc(C#N)cc1)N1CCCC1.
What is the InChIKey of 4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is DEZOJFDOQGQQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(18-8-2-3-9-18)11-17-15(19)14-6-4-13(10-16)5-7-14/h4-7,12H,2-3,8-9,11H2,1H3,(H,17,19).
What are the key properties of 4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide?
4-cyano-N-(2-pyrrolidin-1-ylpropyl)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-(2-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 47026894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).