N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide

C24H26N4O2S — CID 15988469

IUPACN-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(Sc4ccc(C)cc4)nn3)CC2)cc1
InChIInChI=1S/C24H26N4O2S/c1-17-3-9-21(10-4-17)31-23-12-11-22(26-27-23)28-15-13-18(14-16-28)24(29)25-19-5-7-20(30-2)8-6-19/h3-12,18H,13-16H2,1-2H3,(H,25,29)
InChIKeySOBWXBVTQULSKO-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.80
Rot. Bonds6

About N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 15988469) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide
PubChem CID15988469
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(Sc4ccc(C)cc4)nn3)CC2)cc1
InChIInChI=1S/C24H26N4O2S/c1-17-3-9-21(10-4-17)31-23-12-11-22(26-27-23)28-15-13-18(14-16-28)24(29)25-19-5-7-20(30-2)8-6-19/h3-12,18H,13-16H2,1-2H3,(H,25,29)
InChIKeySOBWXBVTQULSKO-UHFFFAOYSA-N
XLogP4.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide (CID 15988469) is N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ccc(Sc4ccc(C)cc4)nn3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is SOBWXBVTQULSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-3-9-21(10-4-17)31-23-12-11-22(26-27-23)28-15-13-18(14-16-28)24(29)25-19-5-7-20(30-2)8-6-19/h3-12,18H,13-16H2,1-2H3,(H,25,29).
What are the key properties of N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 15988469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).