2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide

C23H20FN3O2S — CID 137477803

IUPAC2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(C)C(C(=O)Nc1nccs1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H20FN3O2S/c1-13(2)20(22(29)27-23-25-10-11-30-23)16-8-9-19(26-21(16)28)15-7-6-14-4-3-5-18(24)17(14)12-15/h3-13,20H,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyKACPXLOEGJNMLQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.17
Rot. Bonds5

About 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide

2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 137477803) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID137477803
Molecular FormulaC23H20FN3O2S
Molecular Weight421.50 g/mol
Exact Mass421.13
IUPAC Name2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(C)C(C(=O)Nc1nccs1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H20FN3O2S/c1-13(2)20(22(29)27-23-25-10-11-30-23)16-8-9-19(26-21(16)28)15-7-6-14-4-3-5-18(24)17(14)12-15/h3-13,20H,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyKACPXLOEGJNMLQ-UHFFFAOYSA-N
XLogP5.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide (CID 137477803) is 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide is CC(C)C(C(=O)Nc1nccs1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is KACPXLOEGJNMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-13(2)20(22(29)27-23-25-10-11-30-23)16-8-9-19(26-21(16)28)15-7-6-14-4-3-5-18(24)17(14)12-15/h3-13,20H,1-2H3,(H,26,28)(H,25,27,29).
What are the key properties of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 421.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 137477803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).