6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride

C17H20Cl2N4OS — CID 120557782

IUPAC6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(Sc2ccccc2Cl)nn1.Cl
InChIInChI=1S/C17H19ClN4OS.ClH/c1-11-10-19-9-8-13(11)20-17(23)14-6-7-16(22-21-14)24-15-5-3-2-4-12(15)18;/h2-7,11,13,19H,8-10H2,1H3,(H,20,23);1H
InChIKeyANEPCSKVHBRGQK-UHFFFAOYSA-N
MW399.35 g/mol
LogP3.43
Rot. Bonds4

About 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride

6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride (PubChem CID 120557782) has the molecular formula C17H20Cl2N4OS and a molecular weight of 399.35 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
PubChem CID120557782
Molecular FormulaC17H20Cl2N4OS
Molecular Weight399.35 g/mol
Exact Mass398.07
IUPAC Name6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(Sc2ccccc2Cl)nn1.Cl
InChIInChI=1S/C17H19ClN4OS.ClH/c1-11-10-19-9-8-13(11)20-17(23)14-6-7-16(22-21-14)24-15-5-3-2-4-12(15)18;/h2-7,11,13,19H,8-10H2,1H3,(H,20,23);1H
InChIKeyANEPCSKVHBRGQK-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120554755
6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide
CID 102562430
6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
CID 119513560
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357320
N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 120556268
5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120553350
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557411
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride (CID 120557782) is 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(Sc2ccccc2Cl)nn1.Cl.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride?
The InChIKey is ANEPCSKVHBRGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4OS.ClH/c1-11-10-19-9-8-13(11)20-17(23)14-6-7-16(22-21-14)24-15-5-3-2-4-12(15)18;/h2-7,11,13,19H,8-10H2,1H3,(H,20,23);1H.
What are the key properties of 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride?
6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride has a molecular weight of 399.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120557782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).