5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one

C19H24N2O2S — CID 134311541

IUPAC5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
SMILESCSc1ccc(OCC2CC2)c(-c2cc(N(C)C)c(=O)n(C)c2)c1
InChIInChI=1S/C19H24N2O2S/c1-20(2)17-9-14(11-21(3)19(17)22)16-10-15(24-4)7-8-18(16)23-12-13-5-6-13/h7-11,13H,5-6,12H2,1-4H3
InChIKeyRAZJKPMIPZEWFC-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.63
Rot. Bonds6

About 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one

5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one (PubChem CID 134311541) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
PubChem CID134311541
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
SMILESCSc1ccc(OCC2CC2)c(-c2cc(N(C)C)c(=O)n(C)c2)c1
InChIInChI=1S/C19H24N2O2S/c1-20(2)17-9-14(11-21(3)19(17)22)16-10-15(24-4)7-8-18(16)23-12-13-5-6-13/h7-11,13H,5-6,12H2,1-4H3
InChIKeyRAZJKPMIPZEWFC-UHFFFAOYSA-N
XLogP3.63
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one (CID 134311541) is 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one is CSc1ccc(OCC2CC2)c(-c2cc(N(C)C)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
The InChIKey is RAZJKPMIPZEWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20(2)17-9-14(11-21(3)19(17)22)16-10-15(24-4)7-8-18(16)23-12-13-5-6-13/h7-11,13H,5-6,12H2,1-4H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one has a molecular weight of 344.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 134311541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).