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

C23H25FN2O4 — CID 137477876

IUPACN-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(CO)CO)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H25FN2O4/c1-13(2)21(23(30)25-16(11-27)12-28)17-8-9-20(26-22(17)29)15-7-6-14-4-3-5-19(24)18(14)10-15/h3-10,13,16,21,27-28H,11-12H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyAVVXVDVIYIOPQS-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.54
Rot. Bonds7

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

N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide (PubChem CID 137477876) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
PubChem CID137477876
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(CO)CO)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H25FN2O4/c1-13(2)21(23(30)25-16(11-27)12-28)17-8-9-20(26-22(17)29)15-7-6-14-4-3-5-19(24)18(14)10-15/h3-10,13,16,21,27-28H,11-12H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyAVVXVDVIYIOPQS-UHFFFAOYSA-N
XLogP2.54
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide (CID 137477876) is N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide is CC(C)C(C(=O)NC(CO)CO)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The InChIKey is AVVXVDVIYIOPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4/c1-13(2)21(23(30)25-16(11-27)12-28)17-8-9-20(26-22(17)29)15-7-6-14-4-3-5-19(24)18(14)10-15/h3-10,13,16,21,27-28H,11-12H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide has a molecular weight of 412.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 137477876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).