N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C20H26N4O5S — CID 121033606

IUPACN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)C3CCN(S(C)(=O)=O)CC3)n2)cc1
InChIInChI=1S/C20H26N4O5S/c1-29-17-5-3-15(4-6-17)18-7-8-19(25)24(22-18)14-11-21-20(26)16-9-12-23(13-10-16)30(2,27)28/h3-8,16H,9-14H2,1-2H3,(H,21,26)
InChIKeyMUTYTWLSOAERHT-UHFFFAOYSA-N
MW434.52 g/mol
LogP0.71
Rot. Bonds7

About N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 121033606) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID121033606
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)C3CCN(S(C)(=O)=O)CC3)n2)cc1
InChIInChI=1S/C20H26N4O5S/c1-29-17-5-3-15(4-6-17)18-7-8-19(25)24(22-18)14-11-21-20(26)16-9-12-23(13-10-16)30(2,27)28/h3-8,16H,9-14H2,1-2H3,(H,21,26)
InChIKeyMUTYTWLSOAERHT-UHFFFAOYSA-N
XLogP0.71
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569655
N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278322
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051121
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028008
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 121072014
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-3-carboxamide
CID 121071163
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 50944837
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 18569648

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 121033606) is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(-c2ccc(=O)n(CCNC(=O)C3CCN(S(C)(=O)=O)CC3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is MUTYTWLSOAERHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-29-17-5-3-15(4-6-17)18-7-8-19(25)24(22-18)14-11-21-20(26)16-9-12-23(13-10-16)30(2,27)28/h3-8,16H,9-14H2,1-2H3,(H,21,26).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 121033606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).