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

C24H27FN2O2 — CID 137478217

IUPAC3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CC(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C
InChIInChI=1S/C24H27FN2O2/c1-14(2)19(13-23(28)26-15(3)4)18-10-11-22(27-24(18)29)17-9-8-16-6-5-7-21(25)20(16)12-17/h5-12,14-15,19H,13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyBGARCLJBHYNGIT-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.99
Rot. Bonds6

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

3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide (PubChem CID 137478217) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide
PubChem CID137478217
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CC(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C
InChIInChI=1S/C24H27FN2O2/c1-14(2)19(13-23(28)26-15(3)4)18-10-11-22(27-24(18)29)17-9-8-16-6-5-7-21(25)20(16)12-17/h5-12,14-15,19H,13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyBGARCLJBHYNGIT-UHFFFAOYSA-N
XLogP4.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.99
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-methyl-N-propan-2-ylpentanamide?
The IUPAC name of 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide (CID 137478217) is 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide?
The canonical SMILES for 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide is CC(C)NC(=O)CC(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C.
What is the InChIKey of 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide?
The InChIKey is BGARCLJBHYNGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-14(2)19(13-23(28)26-15(3)4)18-10-11-22(27-24(18)29)17-9-8-16-6-5-7-21(25)20(16)12-17/h5-12,14-15,19H,13H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide?
3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methyl-N-propan-2-ylpentanamide has a molecular weight of 394.49 g/mol, XLogP of 4.99, 6 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-methyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 137478217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).