2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide

C20H18F2N2O2 — CID 137477568

IUPAC2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
SMILESCC(C)C(F)(C(N)=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C20H18F2N2O2/c1-11(2)20(22,19(23)26)15-8-9-17(24-18(15)25)13-7-6-12-4-3-5-16(21)14(12)10-13/h3-11H,1-2H3,(H2,23,26)(H,24,25)
InChIKeyRKCPJLIKGCZUPC-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.64
Rot. Bonds4

About 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide

2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide (PubChem CID 137477568) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
PubChem CID137477568
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
SMILESCC(C)C(F)(C(N)=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C20H18F2N2O2/c1-11(2)20(22,19(23)26)15-8-9-17(24-18(15)25)13-7-6-12-4-3-5-16(21)14(12)10-13/h3-11H,1-2H3,(H2,23,26)(H,24,25)
InChIKeyRKCPJLIKGCZUPC-UHFFFAOYSA-N
XLogP3.64
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The IUPAC name of 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide (CID 137477568) is 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide.
What is the SMILES notation for 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The canonical SMILES for 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide is CC(C)C(F)(C(N)=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The InChIKey is RKCPJLIKGCZUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-11(2)20(22,19(23)26)15-8-9-17(24-18(15)25)13-7-6-12-4-3-5-16(21)14(12)10-13/h3-11H,1-2H3,(H2,23,26)(H,24,25).
What are the key properties of 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide has a molecular weight of 356.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 137477568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).