[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone

C20H26N4O2 — CID 90638827

IUPAC[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC(Oc3ccc(C)nn3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-4-23(5-2)17-9-7-16(8-10-17)20(25)24-13-12-18(14-24)26-19-11-6-15(3)21-22-19/h6-11,18H,4-5,12-14H2,1-3H3
InChIKeyDEXPCIKZODQMTG-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.92
Rot. Bonds6

About [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone

[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 90638827) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
PubChem CID90638827
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC(Oc3ccc(C)nn3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-4-23(5-2)17-9-7-16(8-10-17)20(25)24-13-12-18(14-24)26-19-11-6-15(3)21-22-19/h6-11,18H,4-5,12-14H2,1-3H3
InChIKeyDEXPCIKZODQMTG-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90638686
4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100627350
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90638724
(3,5-dimethoxyphenyl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626116
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
1H-indol-6-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627672
(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638662
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
1,3-benzothiazol-6-yl-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625612
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (CID 90638827) is [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is CCN(CC)c1ccc(C(=O)N2CCC(Oc3ccc(C)nn3)C2)cc1.
What is the InChIKey of [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is DEXPCIKZODQMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-23(5-2)17-9-7-16(8-10-17)20(25)24-13-12-18(14-24)26-19-11-6-15(3)21-22-19/h6-11,18H,4-5,12-14H2,1-3H3.
What are the key properties of [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90638827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).