N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

C22H24N4OS — CID 20947338

IUPACN-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c1
InChIInChI=1S/C22H24N4OS/c1-16-4-2-5-17(14-16)15-23-22(27)18-9-11-26(12-10-18)21-8-7-19(24-25-21)20-6-3-13-28-20/h2-8,13-14,18H,9-12,15H2,1H3,(H,23,27)
InChIKeyOQICJCAZWMWBMF-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.05
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 20947338) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID20947338
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c1
InChIInChI=1S/C22H24N4OS/c1-16-4-2-5-17(14-16)15-23-22(27)18-9-11-26(12-10-18)21-8-7-19(24-25-21)20-6-3-13-28-20/h2-8,13-14,18H,9-12,15H2,1H3,(H,23,27)
InChIKeyOQICJCAZWMWBMF-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243
N-[(4-chlorophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947209
N-(3,5-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947260
N-(4-methyl-2-pyridinyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947252
2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 41233272
N-(2,3-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947220
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46340074
N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947206
N-[(3-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928874
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364184
1-(6-phenylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30360575
N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113004008

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 20947338) is N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is OQICJCAZWMWBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-16-4-2-5-17(14-16)15-23-22(27)18-9-11-26(12-10-18)21-8-7-19(24-25-21)20-6-3-13-28-20/h2-8,13-14,18H,9-12,15H2,1H3,(H,23,27).
What are the key properties of N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20947338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).