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

C22H23FN2O3 — CID 137477849

IUPAC2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCO)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C22H23FN2O3/c1-13(2)20(22(28)24-10-11-26)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-9,12-13,20,26H,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyBZSLZGVIENVTDJ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.18
Rot. Bonds6

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

2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 137477849) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID137477849
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCO)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C22H23FN2O3/c1-13(2)20(22(28)24-10-11-26)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-9,12-13,20,26H,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyBZSLZGVIENVTDJ-UHFFFAOYSA-N
XLogP3.18
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide (CID 137477849) is 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide is CC(C)C(C(=O)NCCO)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is BZSLZGVIENVTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-13(2)20(22(28)24-10-11-26)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-9,12-13,20,26H,10-11H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide?
2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 382.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 137477849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).