5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one

C14H20FNO2 — CID 157257793

IUPAC5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one
SMILESCC(C)Cc1cc(F)cn([C@@H]2CCCOC2)c1=O
InChIInChI=1S/C14H20FNO2/c1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13/h7-8,10,13H,3-6,9H2,1-2H3/t13-/m1/s1
InChIKeyJEMSHARHFOYABH-CYBMUJFWSA-N
MW253.32 g/mol
LogP2.54
Rot. Bonds3

About 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one

5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one (PubChem CID 157257793) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one
PubChem CID157257793
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one
SMILESCC(C)Cc1cc(F)cn([C@@H]2CCCOC2)c1=O
InChIInChI=1S/C14H20FNO2/c1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13/h7-8,10,13H,3-6,9H2,1-2H3/t13-/m1/s1
InChIKeyJEMSHARHFOYABH-CYBMUJFWSA-N
XLogP2.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)pyridin-1-yl]-4-methylpentanoate
CID 139579670
Ethyl 2-[3-(difluoromethyl)-2-oxo-5-prop-2-enylpyridin-1-yl]-4-methylpentanoate
CID 139579869
Ethyl 2-[3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-2-oxopyridin-1-yl]-4-methylpentanoate
CID 139579929
Propyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoate
CID 153352909
Ethyl 2-[5-[2-(dimethylamino)ethyl]-3-fluoro-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 156277406
Ethyl 2-(3-fluoro-2-oxo-5-prop-2-enyl-1-pyridinyl)-4-methylpentanoate
CID 156277439
Ethyl 2-(3-fluoro-4-methyl-2-oxo-5-prop-2-enyl-1-pyridinyl)-4-methylpentanoate
CID 156277511
Ethyl 2-[5-[2-(dimethylamino)ethyl]-3-fluoro-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 156277544
Ethyl 2-[3-fluoro-2-oxo-5-(2-oxoethyl)-1-pyridinyl]-4-methylpentanoate
CID 156277567
Ethyl 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanoate
CID 156283096
Ethyl 2-(3-fluoro-2-oxo-5-propyl-1-pyridinyl)-4-methylpentanoate
CID 156283562
Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041539

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one?
The IUPAC name of 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one (CID 157257793) is 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one?
The canonical SMILES for 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one is CC(C)Cc1cc(F)cn([C@@H]2CCCOC2)c1=O.
What is the InChIKey of 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one?
The InChIKey is JEMSHARHFOYABH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13/h7-8,10,13H,3-6,9H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one?
5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one has a molecular weight of 253.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 157257793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).