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

C10H10F4N2O2 — CID 103528786

IUPAC6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(F)(F)C(F)F)c[nH]1
InChIInChI=1S/C10H10F4N2O2/c1-5-2-7(17)6(3-15-5)8(18)16-4-10(13,14)9(11)12/h2-3,9H,4H2,1H3,(H,15,17)(H,16,18)
InChIKeyYCKZUBNETZAVAR-UHFFFAOYSA-N
MW266.19 g/mol
LogP1.31
Rot. Bonds4

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

6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide (PubChem CID 103528786) has the molecular formula C10H10F4N2O2 and a molecular weight of 266.19 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide
PubChem CID103528786
Molecular FormulaC10H10F4N2O2
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(F)(F)C(F)F)c[nH]1
InChIInChI=1S/C10H10F4N2O2/c1-5-2-7(17)6(3-15-5)8(18)16-4-10(13,14)9(11)12/h2-3,9H,4H2,1H3,(H,15,17)(H,16,18)
InChIKeyYCKZUBNETZAVAR-UHFFFAOYSA-N
XLogP1.31
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-oxo-1-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 49820780
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
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
N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide
CID 118544409
N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544438

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide (CID 103528786) is 6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC(F)(F)C(F)F)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide?
The InChIKey is YCKZUBNETZAVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2/c1-5-2-7(17)6(3-15-5)8(18)16-4-10(13,14)9(11)12/h2-3,9H,4H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide has a molecular weight of 266.19 g/mol, XLogP of 1.31, 4 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-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103528786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).