1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone

C19H24N4O3 — CID 90639732

IUPAC1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)COCc3ccccc3)C2)nn1
InChIInChI=1S/C19H24N4O3/c1-22(2)17-8-9-18(21-20-17)26-16-10-11-23(12-16)19(24)14-25-13-15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeyPPYKCGAKWOKYPX-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.74
Rot. Bonds7

About 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone

1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 90639732) 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-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
PubChem CID90639732
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)COCc3ccccc3)C2)nn1
InChIInChI=1S/C19H24N4O3/c1-22(2)17-8-9-18(21-20-17)26-16-10-11-23(12-16)19(24)14-25-13-15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeyPPYKCGAKWOKYPX-UHFFFAOYSA-N
XLogP1.74
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
1-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 100636242
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017591
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90639595
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-(4-propan-2-ylphenyl)ethanone
CID 90639739
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90639490
1-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017797
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 90639617

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone (CID 90639732) is 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone is CN(C)c1ccc(OC2CCN(C(=O)COCc3ccccc3)C2)nn1.
What is the InChIKey of 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is PPYKCGAKWOKYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22(2)17-8-9-18(21-20-17)26-16-10-11-23(12-16)19(24)14-25-13-15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3.
What are the key properties of 1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 356.43 g/mol, XLogP of 1.74, 7 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-phenylmethoxyethanone is sourced from PubChem (CID 90639732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).