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

C16H14F3N3O — CID 109224282

IUPAC5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O/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/h2-6,8-10,21H,1,7H2,(H,22,23)
InChIKeyJWNMUQLNJZDXAZ-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.95
Rot. Bonds5

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

5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109224282) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109224282
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O/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/h2-6,8-10,21H,1,7H2,(H,22,23)
InChIKeyJWNMUQLNJZDXAZ-UHFFFAOYSA-N
XLogP3.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224233
3-N-phenyl-5-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107800
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224318
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109231573
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224323
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
N-(4-acetylphenyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245712
N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224263
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241

Frequently Asked Questions

What is the IUPAC name of 5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109224282) is 5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is C=CCNc1cncc(C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is JWNMUQLNJZDXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/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/h2-6,8-10,21H,1,7H2,(H,22,23).
What are the key properties of 5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109224282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).