N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide

C14H17N3O — CID 55150795

IUPACN-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O/c1-10(12-4-2-11(8-15)3-5-12)17-14(18)13-6-7-16-9-13/h2-5,10,13,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyWVWALGKUEIRYAS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.34
Rot. Bonds3

About N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide

N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 55150795) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID55150795
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O/c1-10(12-4-2-11(8-15)3-5-12)17-14(18)13-6-7-16-9-13/h2-5,10,13,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyWVWALGKUEIRYAS-UHFFFAOYSA-N
XLogP1.34
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63715441
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide (CID 55150795) is N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is WVWALGKUEIRYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(12-4-2-11(8-15)3-5-12)17-14(18)13-6-7-16-9-13/h2-5,10,13,16H,6-7,9H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide?
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55150795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).