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

C17H21N5O3 — CID 100634488

IUPAC3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCN(C)c1ccc(O[C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)nn1
InChIInChI=1S/C17H21N5O3/c1-20(2)14-6-7-15(19-18-14)25-12-8-10-22(11-12)17(24)13-5-4-9-21(3)16(13)23/h4-7,9,12H,8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyZBTIGKIDCLNRNV-LBPRGKRZSA-N
MW343.39 g/mol
LogP0.53
Rot. Bonds4

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

3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 100634488) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID100634488
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCN(C)c1ccc(O[C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)nn1
InChIInChI=1S/C17H21N5O3/c1-20(2)14-6-7-15(19-18-14)25-12-8-10-22(11-12)17(24)13-5-4-9-21(3)16(13)23/h4-7,9,12H,8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyZBTIGKIDCLNRNV-LBPRGKRZSA-N
XLogP0.53
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100634504
3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100630515
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90639490
1-methyl-3-[(3S)-3-quinolin-2-yloxypyrrolidine-1-carbonyl]pyridin-2-one
CID 100739490
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
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
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 90639673
[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639568

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 100634488) is 3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is CN(C)c1ccc(O[C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)nn1.
What is the InChIKey of 3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is ZBTIGKIDCLNRNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-20(2)14-6-7-15(19-18-14)25-12-8-10-22(11-12)17(24)13-5-4-9-21(3)16(13)23/h4-7,9,12H,8,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 343.39 g/mol, XLogP of 0.53, 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-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 100634488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).