3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C16H18N4O4 — CID 100630515

IUPAC3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOc1ccc(O[C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)nn1
InChIInChI=1S/C16H18N4O4/c1-19-8-3-4-12(15(19)21)16(22)20-9-7-11(10-20)24-14-6-5-13(23-2)17-18-14/h3-6,8,11H,7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyGYFXSQYVVZKDPI-NSHDSACASA-N
MW330.34 g/mol
LogP0.48
Rot. Bonds4

About 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 100630515) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID100630515
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOc1ccc(O[C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)nn1
InChIInChI=1S/C16H18N4O4/c1-19-8-3-4-12(15(19)21)16(22)20-9-7-11(10-20)24-14-6-5-13(23-2)17-18-14/h3-6,8,11H,7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyGYFXSQYVVZKDPI-NSHDSACASA-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

Analyze 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

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
1-methyl-3-[(3S)-3-quinolin-2-yloxypyrrolidine-1-carbonyl]pyridin-2-one
CID 100739490
3-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756457
3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756452
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
(2-iodophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639097
3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 121161190
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90639283
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 100632774
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 100630515) is 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is COc1ccc(O[C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)nn1.
What is the InChIKey of 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is GYFXSQYVVZKDPI-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N4O4/c1-19-8-3-4-12(15(19)21)16(22)20-9-7-11(10-20)24-14-6-5-13(23-2)17-18-14/h3-6,8,11H,7,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
3-[(3S)-3-(6-methoxypyridazin-3-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-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 100630515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).