3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one

C20H26N4O3 — CID 160614606

IUPAC3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2ccc(N(C)CCC(=O)N3CCCC3)nn2)cc1OC
InChIInChI=1S/C20H26N4O3/c1-23(13-10-20(25)24-11-4-5-12-24)19-9-7-16(21-22-19)15-6-8-17(26-2)18(14-15)27-3/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyRFXUKNCVRLWILT-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.61
Rot. Bonds7

About 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 160614606) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID160614606
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2ccc(N(C)CCC(=O)N3CCCC3)nn2)cc1OC
InChIInChI=1S/C20H26N4O3/c1-23(13-10-20(25)24-11-4-5-12-24)19-9-7-16(21-22-19)15-6-8-17(26-2)18(14-15)27-3/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyRFXUKNCVRLWILT-UHFFFAOYSA-N
XLogP2.61
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 47027251
N-cyclopropyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46000776
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 7435470
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylacetamide
CID 46000671
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 46148586
3-(3,4-dimethoxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013354
N-butan-2-yl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 42833316
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 46000730
(2-oxo-2-piperidin-1-ylethyl) 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 33118572
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
[2-(azocan-1-yl)-2-oxoethyl] 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate
CID 8678145
1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-ethyl-1-propan-2-ylurea
CID 46000877

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 160614606) is 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one is COc1ccc(-c2ccc(N(C)CCC(=O)N3CCCC3)nn2)cc1OC.
What is the InChIKey of 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RFXUKNCVRLWILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23(13-10-20(25)24-11-4-5-12-24)19-9-7-16(21-22-19)15-6-8-17(26-2)18(14-15)27-3/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 370.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 160614606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).