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

C9H9F3N2O2 — CID 103696314

IUPAC6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(F)(F)F)c[nH]1
InChIInChI=1S/C9H9F3N2O2/c1-5-2-7(15)6(3-13-5)8(16)14-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,15)(H,14,16)
InChIKeyDURJAVAOQDZUNZ-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.98
Rot. Bonds2

About 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 103696314) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID103696314
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(F)(F)F)c[nH]1
InChIInChI=1S/C9H9F3N2O2/c1-5-2-7(15)6(3-13-5)8(16)14-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,15)(H,14,16)
InChIKeyDURJAVAOQDZUNZ-UHFFFAOYSA-N
XLogP0.98
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4-oxo-1-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 49820780
4,6-dimethyl-3-[(2Z)-4,4,4-trifluoro-3-(pyrrolidin-1-yl)but-2-enoyl]pyridin-2(1H)-one
CID 6378801
N-[2-(diethylamino)ethyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444316
N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444317
N-[2-(butylamino)-2-oxoethyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide
CID 121501886
2-ethyl-5,6,7,8-tetrahydro-6-trifluoroacetyl-1,6-naphthyridin-4(1H)-one
CID 19771695
6-(Heptafluoropropyl)-2-oxo-N-propyl-1,2-dihydropyridine-3-carboxamide
CID 59828242
6-methyl-4-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 89690038
N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544263
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544287
2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide
CID 118544324
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544380

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 103696314) is 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC(F)(F)F)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DURJAVAOQDZUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-5-2-7(15)6(3-13-5)8(16)14-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103696314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).