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

C21H21N3O2 — CID 112500026

IUPAC6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C21H21N3O2/c1-13-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(13)20-14(2)23-12-19(25)24(20)3/h4-5,8-12,15H,6-7H2,1-3H3
InChIKeyGNOKTYDQPLHTGK-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.13
Rot. Bonds4

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

6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (PubChem CID 112500026) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.

Molecular Properties

Compound Name6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
PubChem CID112500026
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C21H21N3O2/c1-13-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(13)20-14(2)23-12-19(25)24(20)3/h4-5,8-12,15H,6-7H2,1-3H3
InChIKeyGNOKTYDQPLHTGK-UHFFFAOYSA-N
XLogP4.13
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The IUPAC name of 6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (CID 112500026) is 6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.
What is the SMILES notation for 6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The canonical SMILES for 6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)ncc(=O)n1C.
What is the InChIKey of 6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The InChIKey is GNOKTYDQPLHTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(13)20-14(2)23-12-19(25)24(20)3/h4-5,8-12,15H,6-7H2,1-3H3.
What are the key properties of 6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one has a molecular weight of 347.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is sourced from PubChem (CID 112500026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).