5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide

C7H7F3N2O — CID 162568488

IUPAC5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CC(C(F)(F)F)=CNC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-1-4(6(11)13)2-12-3-5/h1,3,12H,2H2,(H2,11,13)
InChIKeyZATJVCRDMQHKPT-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.45
Rot. Bonds1

About 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide

5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (PubChem CID 162568488) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
PubChem CID162568488
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CC(C(F)(F)F)=CNC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-1-4(6(11)13)2-12-3-5/h1,3,12H,2H2,(H2,11,13)
InChIKeyZATJVCRDMQHKPT-UHFFFAOYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (CID 162568488) is 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide is NC(=O)C1=CC(C(F)(F)F)=CNC1.
What is the InChIKey of 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide?
The InChIKey is ZATJVCRDMQHKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)5-1-4(6(11)13)2-12-3-5/h1,3,12H,2H2,(H2,11,13).
What are the key properties of 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide?
5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide has a molecular weight of 192.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 162568488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).