(2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide

C19H16F3N3O — CID 143190836

IUPAC(2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2)nc1)[C@H]1CCCN1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)14-6-3-13(4-7-14)5-8-15-9-10-16(12-24-15)25-18(26)17-2-1-11-23-17/h3-4,6-7,9-10,12,17,23H,1-2,11H2,(H,25,26)/t17-/m1/s1
InChIKeyOPXDODGQQJMXTK-QGZVFWFLSA-N
MW359.35 g/mol
LogP3.19
Rot. Bonds2

About (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide

(2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 143190836) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID143190836
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name(2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2)nc1)[C@H]1CCCN1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)14-6-3-13(4-7-14)5-8-15-9-10-16(12-24-15)25-18(26)17-2-1-11-23-17/h3-4,6-7,9-10,12,17,23H,1-2,11H2,(H,25,26)/t17-/m1/s1
InChIKeyOPXDODGQQJMXTK-QGZVFWFLSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]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

N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
(2R)-N-[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide
CID 143190840
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
N-[6-(4-fluorophenoxy)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119849104
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 65490023
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 119301878
(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 122081463
(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119698605
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide (CID 143190836) is (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2)nc1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is OPXDODGQQJMXTK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)14-6-3-13(4-7-14)5-8-15-9-10-16(12-24-15)25-18(26)17-2-1-11-23-17/h3-4,6-7,9-10,12,17,23H,1-2,11H2,(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide?
(2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143190836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).