N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide

C23H28ClN5O2S — CID 50825958

IUPACN-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(N2CCC(C(=O)N3CCCCC3)CC2)nn1)Nc1cccc(Cl)c1
InChIInChI=1S/C23H28ClN5O2S/c24-18-5-4-6-19(15-18)25-21(30)16-32-22-8-7-20(26-27-22)28-13-9-17(10-14-28)23(31)29-11-2-1-3-12-29/h4-8,15,17H,1-3,9-14,16H2,(H,25,30)
InChIKeyJXKGZNSJUJTLLD-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.09
Rot. Bonds6

About N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide

N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 50825958) has the molecular formula C23H28ClN5O2S and a molecular weight of 474.03 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID50825958
Molecular FormulaC23H28ClN5O2S
Molecular Weight474.03 g/mol
Exact Mass473.17
IUPAC NameN-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(N2CCC(C(=O)N3CCCCC3)CC2)nn1)Nc1cccc(Cl)c1
InChIInChI=1S/C23H28ClN5O2S/c24-18-5-4-6-19(15-18)25-21(30)16-32-22-8-7-20(26-27-22)28-13-9-17(10-14-28)23(31)29-11-2-1-3-12-29/h4-8,15,17H,1-3,9-14,16H2,(H,25,30)
InChIKeyJXKGZNSJUJTLLD-UHFFFAOYSA-N
XLogP4.09
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[2-(3-chloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50826048
N-(3,5-dimethylphenyl)-2-[6-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 50826024
N-(4-methoxyphenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 50826054
N-(2-methylphenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 50826032
1-[6-(2-anilino-2-oxoethyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50826029
N-cyclopropyl-1-[6-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]piperidine-4-carboxamide
CID 50825985
N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334555
1-[6-[2-(2-chloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50826049
1-[6-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50825989
1-[6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50825999
N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 95622494
1-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50826102

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide (CID 50825958) is N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(N2CCC(C(=O)N3CCCCC3)CC2)nn1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is JXKGZNSJUJTLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2S/c24-18-5-4-6-19(15-18)25-21(30)16-32-22-8-7-20(26-27-22)28-13-9-17(10-14-28)23(31)29-11-2-1-3-12-29/h4-8,15,17H,1-3,9-14,16H2,(H,25,30).
What are the key properties of N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide?
N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 474.03 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 50825958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).