6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide

C7H7F3N2O2 — CID 151162309

IUPAC6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide
SMILESNC(=O)C1CNC(=O)C=C1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-1-5(13)12-2-3(4)6(11)14/h1,3H,2H2,(H2,11,14)(H,12,13)
InChIKeyNANILGHVCQWCNX-UHFFFAOYSA-N
MW208.14 g/mol
LogP-0.29
Rot. Bonds1

About 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide

6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide (PubChem CID 151162309) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide
PubChem CID151162309
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide
SMILESNC(=O)C1CNC(=O)C=C1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-1-5(13)12-2-3(4)6(11)14/h1,3H,2H2,(H2,11,14)(H,12,13)
InChIKeyNANILGHVCQWCNX-UHFFFAOYSA-N
XLogP-0.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide (CID 151162309) is 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide is NC(=O)C1CNC(=O)C=C1C(F)(F)F.
What is the InChIKey of 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide?
The InChIKey is NANILGHVCQWCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)4-1-5(13)12-2-3(4)6(11)14/h1,3H,2H2,(H2,11,14)(H,12,13).
What are the key properties of 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide?
6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide has a molecular weight of 208.14 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-pyridine-3-carboxamide is sourced from PubChem (CID 151162309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).