4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide

C7H7F3N2O — CID 171476699

IUPAC4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CNC=CC1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3,5,12H,(H2,11,13)
InChIKeyPWFPQBZBCQNZBU-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.65
Rot. Bonds1

About 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide

4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide (PubChem CID 171476699) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide
PubChem CID171476699
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CNC=CC1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3,5,12H,(H2,11,13)
InChIKeyPWFPQBZBCQNZBU-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide?
The IUPAC name of 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide (CID 171476699) is 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide is NC(=O)C1=CNC=CC1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide?
The InChIKey is PWFPQBZBCQNZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3,5,12H,(H2,11,13).
What are the key properties of 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide?
4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide has a molecular weight of 192.14 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 171476699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).