6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one

C19H17Cl2N3O2 — CID 112500027

IUPAC6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C19H17Cl2N3O2/c1-10-7-13(26-19-17(21)11(2)15(20)8-23-19)5-6-14(10)18-12(3)22-9-16(25)24(18)4/h5-9H,1-4H3
InChIKeyZMMBEOIWRDXTMH-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.87
Rot. Bonds3

About 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one

6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (PubChem CID 112500027) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.

Molecular Properties

Compound Name6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
PubChem CID112500027
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C19H17Cl2N3O2/c1-10-7-13(26-19-17(21)11(2)15(20)8-23-19)5-6-14(10)18-12(3)22-9-16(25)24(18)4/h5-9H,1-4H3
InChIKeyZMMBEOIWRDXTMH-UHFFFAOYSA-N
XLogP4.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The IUPAC name of 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (CID 112500027) is 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.
What is the SMILES notation for 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The canonical SMILES for 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is Cc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C.
What is the InChIKey of 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The InChIKey is ZMMBEOIWRDXTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-10-7-13(26-19-17(21)11(2)15(20)8-23-19)5-6-14(10)18-12(3)22-9-16(25)24(18)4/h5-9H,1-4H3.
What are the key properties of 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one has a molecular weight of 390.27 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-dichloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is sourced from PubChem (CID 112500027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).