N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C17H16F3N3O — CID 33171812

IUPACN-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)15-8-7-12(11-21-15)16(24)22-13-5-1-2-6-14(13)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10H2,(H,22,24)
InChIKeyDZFSGZSMIKTBOQ-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.95
Rot. Bonds3

About N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 33171812) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID33171812
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC NameN-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)15-8-7-12(11-21-15)16(24)22-13-5-1-2-6-14(13)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10H2,(H,22,24)
InChIKeyDZFSGZSMIKTBOQ-UHFFFAOYSA-N
XLogP3.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-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-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38117199
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51111953
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 33171812) is N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccccc1N1CCCC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DZFSGZSMIKTBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)15-8-7-12(11-21-15)16(24)22-13-5-1-2-6-14(13)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10H2,(H,22,24).
What are the key properties of N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 33171812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).