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

C23H26N4O3 — CID 90639571

IUPAC[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC(Oc2ccc(N(C)C)nn2)C1
InChIInChI=1S/C23H26N4O3/c1-4-29-19-10-9-16-7-5-6-8-18(16)22(19)23(28)27-14-13-17(15-27)30-21-12-11-20(24-25-21)26(2)3/h5-12,17H,4,13-15H2,1-3H3
InChIKeyWRPWTGHOHHQHJW-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.39
Rot. Bonds6

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

[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone (PubChem CID 90639571) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
PubChem CID90639571
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC(Oc2ccc(N(C)C)nn2)C1
InChIInChI=1S/C23H26N4O3/c1-4-29-19-10-9-16-7-5-6-8-18(16)22(19)23(28)27-14-13-17(15-27)30-21-12-11-20(24-25-21)26(2)3/h5-12,17H,4,13-15H2,1-3H3
InChIKeyWRPWTGHOHHQHJW-UHFFFAOYSA-N
XLogP3.39
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636127
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 90639673
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90639490
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584648
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
1-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 100636242
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 100637237
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 90639726
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 90639732

Frequently Asked Questions

What is the IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
The IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone (CID 90639571) is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone.
What is the SMILES notation for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
The canonical SMILES for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone is CCOc1ccc2ccccc2c1C(=O)N1CCC(Oc2ccc(N(C)C)nn2)C1.
What is the InChIKey of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
The InChIKey is WRPWTGHOHHQHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-4-29-19-10-9-16-7-5-6-8-18(16)22(19)23(28)27-14-13-17(15-27)30-21-12-11-20(24-25-21)26(2)3/h5-12,17H,4,13-15H2,1-3H3.
What are the key properties of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone?
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone has a molecular weight of 406.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 90639571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).