3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide

C21H21FN2O2 — CID 137478254

IUPAC3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide
SMILESCC(C)C(CC(N)=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C21H21FN2O2/c1-12(2)16(11-20(23)25)15-8-9-19(24-21(15)26)14-7-6-13-4-3-5-18(22)17(13)10-14/h3-10,12,16H,11H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyANWPDFBDBLFIMB-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.95
Rot. Bonds5

About 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide

3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide (PubChem CID 137478254) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide
PubChem CID137478254
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide
SMILESCC(C)C(CC(N)=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C21H21FN2O2/c1-12(2)16(11-20(23)25)15-8-9-19(24-21(15)26)14-7-6-13-4-3-5-18(22)17(13)10-14/h3-10,12,16H,11H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyANWPDFBDBLFIMB-UHFFFAOYSA-N
XLogP3.95
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide?
The IUPAC name of 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide (CID 137478254) is 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide.
What is the SMILES notation for 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide?
The canonical SMILES for 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide is CC(C)C(CC(N)=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide?
The InChIKey is ANWPDFBDBLFIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-12(2)16(11-20(23)25)15-8-9-19(24-21(15)26)14-7-6-13-4-3-5-18(22)17(13)10-14/h3-10,12,16H,11H2,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide?
3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide has a molecular weight of 352.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide is sourced from PubChem (CID 137478254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).