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

C19H18ClN3O2 — CID 86764319

IUPAC6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C19H18ClN3O2/c1-11-7-8-21-19(17(11)20)25-14-5-6-15(12(2)9-14)18-13(3)22-10-16(24)23(18)4/h5-10H,1-4H3
InChIKeyKCUPPAZXYZEBGP-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.21
Rot. Bonds3

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

6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (PubChem CID 86764319) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.

Molecular Properties

Compound Name6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
PubChem CID86764319
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C19H18ClN3O2/c1-11-7-8-21-19(17(11)20)25-14-5-6-15(12(2)9-14)18-13(3)22-10-16(24)23(18)4/h5-10H,1-4H3
InChIKeyKCUPPAZXYZEBGP-UHFFFAOYSA-N
XLogP4.21
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The IUPAC name of 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (CID 86764319) is 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.
What is the SMILES notation for 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The canonical SMILES for 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C.
What is the InChIKey of 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The InChIKey is KCUPPAZXYZEBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-11-7-8-21-19(17(11)20)25-14-5-6-15(12(2)9-14)18-13(3)22-10-16(24)23(18)4/h5-10H,1-4H3.
What are the key properties of 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one has a molecular weight of 355.83 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is sourced from PubChem (CID 86764319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).