6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine

C35H38ClN15O4S — CID 157463236

IUPAC6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2cncc(C)n2)cc1Nc1ncccc1S(C)(=O)=O.Cc1cccc(N)n1
InChIInChI=1S/C17H18N8O3S.C12H12ClN5O.C6H8N2/c1-10-8-19-9-14(21-10)23-13-7-11(15(25-24-13)17(26)18-2)22-16-12(29(3,27)28)5-4-6-20-16;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-5-3-2-4-6(7)8-5/h4-9H,1-3H3,(H,18,26)(H2,20,21,22,23,24);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-4H,1H3,(H2,7,8)
InChIKeyBUEDBTSPICAXSC-UHFFFAOYSA-N
MW800.31 g/mol
LogP4.13
Rot. Bonds9

About 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine

6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine (PubChem CID 157463236) has the molecular formula C35H38ClN15O4S and a molecular weight of 800.31 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine
PubChem CID157463236
Molecular FormulaC35H38ClN15O4S
Molecular Weight800.31 g/mol
Exact Mass799.26
IUPAC Name6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2cncc(C)n2)cc1Nc1ncccc1S(C)(=O)=O.Cc1cccc(N)n1
InChIInChI=1S/C17H18N8O3S.C12H12ClN5O.C6H8N2/c1-10-8-19-9-14(21-10)23-13-7-11(15(25-24-13)17(26)18-2)22-16-12(29(3,27)28)5-4-6-20-16;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-5-3-2-4-6(7)8-5/h4-9H,1-3H3,(H,18,26)(H2,20,21,22,23,24);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-4H,1H3,(H2,7,8)
InChIKeyBUEDBTSPICAXSC-UHFFFAOYSA-N
XLogP4.13
TPSA270.46 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.31
LogP ≤ 54.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine with MolForge

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Related Compounds

N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
CID 138756257
Tyk2-IN-7
CID 138911330
Nomelcitinib
CID 170678247
6-[[5-(difluoromethyl)pyridin-2-yl]amino]-4-[(3-methylsulfonylpyridin-2-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620469
6-[[6-(difluoromethyl)pyridazin-3-yl]amino]-4-[(3-methylsulfonylpyridin-2-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620525
6-[[5-(difluoromethyl)pyridin-2-yl]amino]-4-[(3-methylsulfanylpyridin-2-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620532
4-[(3-methylsulfonylpyridin-2-yl)amino]-N-(trideuteriomethyl)-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridazine-3-carboxamide
CID 149800698
4-[(3-methylsulfonylpyridin-2-yl)amino]-N-(trideuteriomethyl)-6-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyridazine-3-carboxamide
CID 152651263
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide
CID 158488347
6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-N-(trifluoromethyl)ethanamine;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-formyl-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 160325247
6-[[6-(difluoromethyl)pyridazin-3-yl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 161788925
6-[[6-(difluoromethyl)pyridazin-3-yl]amino]-N-ethenyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 164085877

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine (CID 157463236) is 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine is CNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2cncc(C)n2)cc1Nc1ncccc1S(C)(=O)=O.Cc1cccc(N)n1.
What is the InChIKey of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine?
The InChIKey is BUEDBTSPICAXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O3S.C12H12ClN5O.C6H8N2/c1-10-8-19-9-14(21-10)23-13-7-11(15(25-24-13)17(26)18-2)22-16-12(29(3,27)28)5-4-6-20-16;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-5-3-2-4-6(7)8-5/h4-9H,1-3H3,(H,18,26)(H2,20,21,22,23,24);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-4H,1H3,(H2,7,8).
What are the key properties of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine?
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine has a molecular weight of 800.31 g/mol, XLogP of 4.13, 9 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(6-methylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methylpyridin-2-amine is sourced from PubChem (CID 157463236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).