1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone

C22H31N5O2 — CID 42830298

IUPAC1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone
SMILESCCC(C)CNCC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1
InChIInChI=1S/C22H31N5O2/c1-4-17(2)15-23-16-22(28)27-13-11-26(12-14-27)21-10-9-20(24-25-21)18-5-7-19(29-3)8-6-18/h5-10,17,23H,4,11-16H2,1-3H3
InChIKeyVSIMESWTLCMYPG-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.44
Rot. Bonds8

About 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone

1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone (PubChem CID 42830298) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone.

Molecular Properties

Compound Name1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone
PubChem CID42830298
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone
SMILESCCC(C)CNCC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1
InChIInChI=1S/C22H31N5O2/c1-4-17(2)15-23-16-22(28)27-13-11-26(12-14-27)21-10-9-20(24-25-21)18-5-7-19(29-3)8-6-18/h5-10,17,23H,4,11-16H2,1-3H3
InChIKeyVSIMESWTLCMYPG-UHFFFAOYSA-N
XLogP2.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-butan-2-yl]-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]acetamide
CID 93156617
N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-methylbutyl)cyclopropanecarboxamide
CID 46001372
N-[(2R)-butan-2-yl]-4-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 98373568
1-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(3-methylbutylamino)ethanone
CID 42830327
N-ethyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42833198
2-methoxy-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 42832718
N-[(2R)-butan-2-yl]-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 93156626
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060197
3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one
CID 121060198
N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 46147399
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone?
The IUPAC name of 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone (CID 42830298) is 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone.
What is the SMILES notation for 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone?
The canonical SMILES for 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone is CCC(C)CNCC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1.
What is the InChIKey of 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone?
The InChIKey is VSIMESWTLCMYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-4-17(2)15-23-16-22(28)27-13-11-26(12-14-27)21-10-9-20(24-25-21)18-5-7-19(29-3)8-6-18/h5-10,17,23H,4,11-16H2,1-3H3.
What are the key properties of 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone?
1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone has a molecular weight of 397.52 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone is sourced from PubChem (CID 42830298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).