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

C7H7F3N2O — CID 91409952

IUPACN-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide
SMILESO=C(NC(F)(F)F)C1=CCC=NC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)12-6(13)5-2-1-3-11-4-5/h2-3H,1,4H2,(H,12,13)
InChIKeyMYEVUPKILXQGCG-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.02
Rot. Bonds1

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

N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide (PubChem CID 91409952) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide
PubChem CID91409952
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC NameN-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide
SMILESO=C(NC(F)(F)F)C1=CCC=NC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)12-6(13)5-2-1-3-11-4-5/h2-3H,1,4H2,(H,12,13)
InChIKeyMYEVUPKILXQGCG-UHFFFAOYSA-N
XLogP1.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,5-Dihydropyridine-3-carboxamide
CID 57050462

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide?
The IUPAC name of N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide (CID 91409952) is N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide?
The canonical SMILES for N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide is O=C(NC(F)(F)F)C1=CCC=NC1.
What is the InChIKey of N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide?
The InChIKey is MYEVUPKILXQGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)12-6(13)5-2-1-3-11-4-5/h2-3H,1,4H2,(H,12,13).
What are the key properties of N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide?
N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide has a molecular weight of 192.14 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-2,5-dihydropyridine-3-carboxamide is sourced from PubChem (CID 91409952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).