2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C22H31N5O2S — CID 126465709

IUPAC2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)COc1ccc(N2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C22H31N5O2S/c1-25(15-18-9-14-30-17-18)22(28)16-29-21-8-7-20(23-24-21)27-12-10-26(11-13-27)19-5-3-2-4-6-19/h7-9,14,17,19H,2-6,10-13,15-16H2,1H3
InChIKeyHRVNPJZMDRRAJN-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.03
Rot. Bonds7

About 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 126465709) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID126465709
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC Name2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)COc1ccc(N2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C22H31N5O2S/c1-25(15-18-9-14-30-17-18)22(28)16-29-21-8-7-20(23-24-21)27-12-10-26(11-13-27)19-5-3-2-4-6-19/h7-9,14,17,19H,2-6,10-13,15-16H2,1H3
InChIKeyHRVNPJZMDRRAJN-UHFFFAOYSA-N
XLogP3.03
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 126465709) is 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)COc1ccc(N2CCN(C3CCCCC3)CC2)nn1.
What is the InChIKey of 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is HRVNPJZMDRRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-25(15-18-9-14-30-17-18)22(28)16-29-21-8-7-20(23-24-21)27-12-10-26(11-13-27)19-5-3-2-4-6-19/h7-9,14,17,19H,2-6,10-13,15-16H2,1H3.
What are the key properties of 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxy-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 126465709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).