6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide

C17H17ClN4O2S — CID 102562430

IUPAC6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1=O
InChIInChI=1S/C17H17ClN4O2S/c1-22-9-8-11(10-16(22)23)19-17(24)13-6-7-15(21-20-13)25-14-5-3-2-4-12(14)18/h2-7,11H,8-10H2,1H3,(H,19,24)
InChIKeyNIBIWYAVKIUPLW-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.63
Rot. Bonds4

About 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide

6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide (PubChem CID 102562430) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide
PubChem CID102562430
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1=O
InChIInChI=1S/C17H17ClN4O2S/c1-22-9-8-11(10-16(22)23)19-17(24)13-6-7-15(21-20-13)25-14-5-3-2-4-12(14)18/h2-7,11H,8-10H2,1H3,(H,19,24)
InChIKeyNIBIWYAVKIUPLW-UHFFFAOYSA-N
XLogP2.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
CID 120557782
2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 126773759
6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
CID 119513560
2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide
CID 99840815
4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357320
[2-(aminomethyl)pyrrolidin-1-yl]-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone;hydrochloride
CID 119633725
6-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridazine-3-carboxamide
CID 64669604
N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
CID 99778789
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
6-chloro-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 28823587

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide (CID 102562430) is 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide is CN1CCC(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1=O.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide?
The InChIKey is NIBIWYAVKIUPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-22-9-8-11(10-16(22)23)19-17(24)13-6-7-15(21-20-13)25-14-5-3-2-4-12(14)18/h2-7,11H,8-10H2,1H3,(H,19,24).
What are the key properties of 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide?
6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide has a molecular weight of 376.87 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 102562430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).