5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C16H16F3N3O — CID 109223099

IUPAC5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O/c1-2-7-21-12-8-11(9-20-10-12)15(23)22-14-6-4-3-5-13(14)16(17,18)19/h3-6,8-10,21H,2,7H2,1H3,(H,22,23)
InChIKeyOTTKBNUJWBKVBN-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.17
Rot. Bonds5

About 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109223099) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109223099
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O/c1-2-7-21-12-8-11(9-20-10-12)15(23)22-14-6-4-3-5-13(14)16(17,18)19/h3-6,8-10,21H,2,7H2,1H3,(H,22,23)
InChIKeyOTTKBNUJWBKVBN-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]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-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224282
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109231573
methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223106
3-N-phenyl-5-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107800
5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224708
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223094
5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109239410
5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102419

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109223099) is 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCCNc1cncc(C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OTTKBNUJWBKVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-2-7-21-12-8-11(9-20-10-12)15(23)22-14-6-4-3-5-13(14)16(17,18)19/h3-6,8-10,21H,2,7H2,1H3,(H,22,23).
What are the key properties of 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109223099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).