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

C16H16F3N3O — CID 109223100

IUPAC5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3N3O/c1-2-6-21-14-7-11(9-20-10-14)15(23)22-13-5-3-4-12(8-13)16(17,18)19/h3-5,7-10,21H,2,6H2,1H3,(H,22,23)
InChIKeyIXTUXHOZVWXHBS-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.17
Rot. Bonds5

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

5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109223100) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109223100
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3N3O/c1-2-6-21-14-7-11(9-20-10-14)15(23)22-13-5-3-4-12(8-13)16(17,18)19/h3-5,7-10,21H,2,6H2,1H3,(H,22,23)
InChIKeyIXTUXHOZVWXHBS-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

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Related Compounds

N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
N-(4-acetylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245736
N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223059
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109239319
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365322

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109223100) is 5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCCNc1cncc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is IXTUXHOZVWXHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-2-6-21-14-7-11(9-20-10-14)15(23)22-13-5-3-4-12(8-13)16(17,18)19/h3-5,7-10,21H,2,6H2,1H3,(H,22,23).
What are the key properties of 5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(propylamino)-N-[3-(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-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109223100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).