(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide

C13H15N3O — CID 15391796

IUPAC(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H15N3O/c14-8-10-3-5-11(6-4-10)9-16-13(17)12-2-1-7-15-12/h3-6,12,15H,1-2,7,9H2,(H,16,17)/t12-/m0/s1
InChIKeySDFPQSLFDIRFMU-LBPRGKRZSA-N
MW229.28 g/mol
LogP0.93
Rot. Bonds3

About (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 15391796) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID15391796
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H15N3O/c14-8-10-3-5-11(6-4-10)9-16-13(17)12-2-1-7-15-12/h3-6,12,15H,1-2,7,9H2,(H,16,17)/t12-/m0/s1
InChIKeySDFPQSLFDIRFMU-LBPRGKRZSA-N
XLogP0.93
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
CID 18670937
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
CID 145433441
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide (CID 15391796) is (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide is N#Cc1ccc(CNC(=O)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is SDFPQSLFDIRFMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-10-3-5-11(6-4-10)9-16-13(17)12-2-1-7-15-12/h3-6,12,15H,1-2,7,9H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 15391796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).