1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide

C19H18N2O — CID 142766812

IUPAC1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c20-19(22)18-7-4-14-21(18)17-12-10-16(11-13-17)9-8-15-5-2-1-3-6-15/h1-3,5-6,10-13,18H,4,7,14H2,(H2,20,22)
InChIKeyYMMYXAMSXOQZCT-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.54
Rot. Bonds2

About 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide

1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 142766812) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID142766812
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c20-19(22)18-7-4-14-21(18)17-12-10-16(11-13-17)9-8-15-5-2-1-3-6-15/h1-3,5-6,10-13,18H,4,7,14H2,(H2,20,22)
InChIKeyYMMYXAMSXOQZCT-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide 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

(2R)-1-[4-[2-(4-benzylphenyl)ethynyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 118096611
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 91807695
N-(diaminomethylidene)-1-phenylpyrrolidine-2-carboxamide
CID 54358653
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
1-(6-amino-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43212069
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
CID 173145770
1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 86258443
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281472
1-(4-cyano-3-methylphenyl)pyrrolidine-2-carboxamide
CID 81281732
1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43121111

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide (CID 142766812) is 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YMMYXAMSXOQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-19(22)18-7-4-14-21(18)17-12-10-16(11-13-17)9-8-15-5-2-1-3-6-15/h1-3,5-6,10-13,18H,4,7,14H2,(H2,20,22).
What are the key properties of 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide?
1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142766812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).