(3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

C18H19F3N4O — CID 68606626

IUPAC(3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)12-4-5-16(25-9-12)14-10-22-11-15(14)17(26)24-8-6-13-3-1-2-7-23-13/h1-5,7,9,14-15,22H,6,8,10-11H2,(H,24,26)/t14-,15-/m1/s1
InChIKeyRZNUYDAUKSKKQB-HUUCEWRRSA-N
MW364.37 g/mol
LogP2.16
Rot. Bonds5

About (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

(3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 68606626) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID68606626
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name(3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)12-4-5-16(25-9-12)14-10-22-11-15(14)17(26)24-8-6-13-3-1-2-7-23-13/h1-5,7,9,14-15,22H,6,8,10-11H2,(H,24,26)/t14-,15-/m1/s1
InChIKeyRZNUYDAUKSKKQB-HUUCEWRRSA-N
XLogP2.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-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-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 154512497
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46172075
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95243220
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octane-6-carboxamide
CID 20722868
4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66265963
2,2,3,3-tetrafluoro-N-(2-pyridin-2-ylethyl)propanamide
CID 103731925
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 44602648
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (CID 68606626) is (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is O=C(NCCc1ccccn1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is RZNUYDAUKSKKQB-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)12-4-5-16(25-9-12)14-10-22-11-15(14)17(26)24-8-6-13-3-1-2-7-23-13/h1-5,7,9,14-15,22H,6,8,10-11H2,(H,24,26)/t14-,15-/m1/s1.
What are the key properties of (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
(3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 68606626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).