3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C16H18N4O4 — CID 100756452

IUPAC3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOc1nccnc1O[C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1
InChIInChI=1S/C16H18N4O4/c1-19-8-3-4-12(15(19)21)16(22)20-9-5-11(10-20)24-14-13(23-2)17-6-7-18-14/h3-4,6-8,11H,5,9-10H2,1-2H3/t11-/m1/s1
InChIKeyYVUJHQJUEJUJFJ-LLVKDONJSA-N
MW330.34 g/mol
LogP0.48
Rot. Bonds4

About 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 100756452) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID100756452
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOc1nccnc1O[C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1
InChIInChI=1S/C16H18N4O4/c1-19-8-3-4-12(15(19)21)16(22)20-9-5-11(10-20)24-14-13(23-2)17-6-7-18-14/h3-4,6-8,11H,5,9-10H2,1-2H3/t11-/m1/s1
InChIKeyYVUJHQJUEJUJFJ-LLVKDONJSA-N
XLogP0.48
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756457
3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100630515
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
3-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 91628240
[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 90636850
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90636828
3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 121161190
1-methyl-3-[(3S)-3-quinolin-2-yloxypyrrolidine-1-carbonyl]pyridin-2-one
CID 100739490
methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100634488
3-[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100634504

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 100756452) is 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is COc1nccnc1O[C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1.
What is the InChIKey of 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is YVUJHQJUEJUJFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-19-8-3-4-12(15(19)21)16(22)20-9-5-11(10-20)24-14-13(23-2)17-6-7-18-14/h3-4,6-8,11H,5,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 330.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 100756452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).