1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

C19H24N4O3 — CID 90639595

IUPAC1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Oc3ccc(N(C)C)nn3)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-22(2)17-8-9-18(21-20-17)26-16-10-11-23(13-16)19(24)12-14-4-6-15(25-3)7-5-14/h4-9,16H,10-13H2,1-3H3
InChIKeyZJCONYSHOOJPGM-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.77
Rot. Bonds6

About 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 90639595) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID90639595
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Oc3ccc(N(C)C)nn3)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-22(2)17-8-9-18(21-20-17)26-16-10-11-23(13-16)19(24)12-14-4-6-15(25-3)7-5-14/h4-9,16H,10-13H2,1-3H3
InChIKeyZJCONYSHOOJPGM-UHFFFAOYSA-N
XLogP1.77
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 90639739
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
2-(4-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639141
1-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 100636242
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 90639254
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90639590
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 90639732
2-(3,4-dimethoxyphenyl)-1-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]ethanone
CID 100616751
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 90639804
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 90639595) is 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC(Oc3ccc(N(C)C)nn3)C2)cc1.
What is the InChIKey of 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is ZJCONYSHOOJPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22(2)17-8-9-18(21-20-17)26-16-10-11-23(13-16)19(24)12-14-4-6-15(25-3)7-5-14/h4-9,16H,10-13H2,1-3H3.
What are the key properties of 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 356.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 90639595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).