6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide

C13H15ClN6O2S — CID 176774472

IUPAC6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCN=S(C)(=O)c1cccnc1Nc1cc(Cl)nnc1C(=O)NC
InChIInChI=1S/C13H15ClN6O2S/c1-15-13(21)11-8(7-10(14)19-20-11)18-12-9(5-4-6-17-12)23(3,22)16-2/h4-7H,1-3H3,(H,15,21)(H,17,18,19)
InChIKeyNQFSFMBAHASDFK-UHFFFAOYSA-N
MW354.82 g/mol
LogP1.71
Rot. Bonds4

About 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide

6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 176774472) has the molecular formula C13H15ClN6O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID176774472
Molecular FormulaC13H15ClN6O2S
Molecular Weight354.82 g/mol
Exact Mass354.07
IUPAC Name6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCN=S(C)(=O)c1cccnc1Nc1cc(Cl)nnc1C(=O)NC
InChIInChI=1S/C13H15ClN6O2S/c1-15-13(21)11-8(7-10(14)19-20-11)18-12-9(5-4-6-17-12)23(3,22)16-2/h4-7H,1-3H3,(H,15,21)(H,17,18,19)
InChIKeyNQFSFMBAHASDFK-UHFFFAOYSA-N
XLogP1.71
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 157463237
tert-butyl N-[6-[[6-chloro-3-(methylcarbamoyl)pyridazin-4-yl]amino]-5-(N,S-dimethylsulfonimidoyl)-3-pyridinyl]carbamate
CID 176774528
N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide
CID 159503943
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;5-methylpyridin-2-amine
CID 159860535
6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 158488350
4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 176774476
6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150460664
6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
CID 174178154
methyl N-[5-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
CID 166130736
6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150986956
6-[[5-(methoxymethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 151920579
4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138911330

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide (CID 176774472) is 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide is CN=S(C)(=O)c1cccnc1Nc1cc(Cl)nnc1C(=O)NC.
What is the InChIKey of 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is NQFSFMBAHASDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O2S/c1-15-13(21)11-8(7-10(14)19-20-11)18-12-9(5-4-6-17-12)23(3,22)16-2/h4-7H,1-3H3,(H,15,21)(H,17,18,19).
What are the key properties of 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?
6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 176774472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).