1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide

C16H12F6N2O2 — CID 3829837

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H12F6N2O2/c1-23-13(25)12-3-2-4-24(14(12)26)8-9-5-10(15(17,18)19)7-11(6-9)16(20,21)22/h2-7H,8H2,1H3,(H,23,25)
InChIKeyMPFLEYOJNIJSQS-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.29
Rot. Bonds3

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 3829837) has the molecular formula C16H12F6N2O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID3829837
Molecular FormulaC16H12F6N2O2
Molecular Weight378.27 g/mol
Exact Mass378.08
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H12F6N2O2/c1-23-13(25)12-3-2-4-24(14(12)26)8-9-5-10(15(17,18)19)7-11(6-9)16(20,21)22/h2-7H,8H2,1H3,(H,23,25)
InChIKeyMPFLEYOJNIJSQS-UHFFFAOYSA-N
XLogP3.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 3829837) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is MPFLEYOJNIJSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O2/c1-23-13(25)12-3-2-4-24(14(12)26)8-9-5-10(15(17,18)19)7-11(6-9)16(20,21)22/h2-7H,8H2,1H3,(H,23,25).
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 3829837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).