1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C23H26N4O2S — CID 50768356

IUPAC1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)o1
InChIInChI=1S/C23H26N4O2S/c1-17-7-8-20(29-17)15-24-23(28)19-11-13-27(14-12-19)21-9-10-22(26-25-21)30-16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,24,28)
InChIKeyMJDDUPJRNOLBOS-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.20
Rot. Bonds7

About 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 50768356) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID50768356
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)o1
InChIInChI=1S/C23H26N4O2S/c1-17-7-8-20(29-17)15-24-23(28)19-11-13-27(14-12-19)21-9-10-22(26-25-21)30-16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,24,28)
InChIKeyMJDDUPJRNOLBOS-UHFFFAOYSA-N
XLogP4.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50768357
1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46297913
1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768626
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide
CID 50768566
1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50843175
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 53034149
1-[6-(2-anilino-2-oxoethyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50826029
methyl 6-[4-(benzylcarbamoyl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133432193
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070467

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 50768356) is 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)o1.
What is the InChIKey of 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is MJDDUPJRNOLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-17-7-8-20(29-17)15-24-23(28)19-11-13-27(14-12-19)21-9-10-22(26-25-21)30-16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,24,28).
What are the key properties of 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50768356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).