N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C9H9F3N2O2 — CID 103386582

IUPACN-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C9H9F3N2O2/c1-14(5-9(10,11)12)8(16)6-4-13-3-2-7(6)15/h2-4H,5H2,1H3,(H,13,15)
InChIKeyLDSWUQRYNLFEJA-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.01
Rot. Bonds2

About N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 103386582) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID103386582
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC NameN-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C9H9F3N2O2/c1-14(5-9(10,11)12)8(16)6-4-13-3-2-7(6)15/h2-4H,5H2,1H3,(H,13,15)
InChIKeyLDSWUQRYNLFEJA-UHFFFAOYSA-N
XLogP1.01
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 103386582) is N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is CN(CC(F)(F)F)C(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is LDSWUQRYNLFEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-14(5-9(10,11)12)8(16)6-4-13-3-2-7(6)15/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103386582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).