2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide

C26H30FN3O4S — CID 137487375

IUPAC2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide
SMILESCC(C)C(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C26H30FN3O4S/c1-16(2)24(26(32)28-19-11-13-30(14-12-19)35(3,33)34)20-9-10-23(29-25(20)31)18-8-7-17-5-4-6-22(27)21(17)15-18/h4-10,15-16,19,24H,11-14H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyFQZOQFZJWVWQME-UHFFFAOYSA-N
MW499.61 g/mol
LogP3.61
Rot. Bonds6

About 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide

2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide (PubChem CID 137487375) has the molecular formula C26H30FN3O4S and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide
PubChem CID137487375
Molecular FormulaC26H30FN3O4S
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC Name2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide
SMILESCC(C)C(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C26H30FN3O4S/c1-16(2)24(26(32)28-19-11-13-30(14-12-19)35(3,33)34)20-9-10-23(29-25(20)31)18-8-7-17-5-4-6-22(27)21(17)15-18/h4-10,15-16,19,24H,11-14H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyFQZOQFZJWVWQME-UHFFFAOYSA-N
XLogP3.61
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.61
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-methylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide (CID 137487375) is 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide is CC(C)C(C(=O)NC1CCN(S(C)(=O)=O)CC1)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-methylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is FQZOQFZJWVWQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4S/c1-16(2)24(26(32)28-19-11-13-30(14-12-19)35(3,33)34)20-9-10-23(29-25(20)31)18-8-7-17-5-4-6-22(27)21(17)15-18/h4-10,15-16,19,24H,11-14H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of 2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide?
2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 499.61 g/mol, XLogP of 3.61, 6 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-methylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 137487375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).