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

C68H73ClN32O11S4 — CID 158396413

IUPAC6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CNC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1ncccc1S(C)(=O)=O.CNC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1ncccc1S(C)=O.CNC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1ncccc1SC.COc1ccc(N)nn1
InChIInChI=1S/C17H18N8O4S.C17H18N8O3S.C17H18N8O2S.C12H12ClN5OS.C5H7N3O/c1-18-17(26)15-10(20-16-11(30(3,27)28)5-4-8-19-16)9-13(23-25-15)21-12-6-7-14(29-2)24-22-12;1-18-17(26)15-10(20-16-11(29(3)27)5-4-8-19-16)9-13(23-25-15)21-12-6-7-14(28-2)24-22-12;1-18-17(26)15-10(20-16-11(28-3)5-4-8-19-16)9-13(23-25-15)21-12-6-7-14(27-2)24-22-12;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;1-9-5-3-2-4(6)7-8-5/h4-9H,1-3H3,(H,18,26)(H2,19,20,21,22,23);4-9H,1-3H3,(H,18,26)(H2,19,20,21,22,23);4-9H,1-3H3,(H,18,26)(H2,19,20,21,22,23);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-3H,1H3,(H2,6,7)
InChIKeyGXPDWAVAQBXWLK-UHFFFAOYSA-N
MW1678.27 g/mol
LogP6.83
Rot. Bonds26

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

6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 158396413) has the molecular formula C68H73ClN32O11S4 and a molecular weight of 1678.27 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID158396413
Molecular FormulaC68H73ClN32O11S4
Molecular Weight1678.27 g/mol
Exact Mass1676.47
IUPAC Name6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CNC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1ncccc1S(C)(=O)=O.CNC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1ncccc1S(C)=O.CNC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1ncccc1SC.COc1ccc(N)nn1
InChIInChI=1S/C17H18N8O4S.C17H18N8O3S.C17H18N8O2S.C12H12ClN5OS.C5H7N3O/c1-18-17(26)15-10(20-16-11(30(3,27)28)5-4-8-19-16)9-13(23-25-15)21-12-6-7-14(29-2)24-22-12;1-18-17(26)15-10(20-16-11(29(3)27)5-4-8-19-16)9-13(23-25-15)21-12-6-7-14(28-2)24-22-12;1-18-17(26)15-10(20-16-11(28-3)5-4-8-19-16)9-13(23-25-15)21-12-6-7-14(27-2)24-22-12;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;1-9-5-3-2-4(6)7-8-5/h4-9H,1-3H3,(H,18,26)(H2,19,20,21,22,23);4-9H,1-3H3,(H,18,26)(H2,19,20,21,22,23);4-9H,1-3H3,(H,18,26)(H2,19,20,21,22,23);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-3H,1H3,(H2,6,7)
InChIKeyGXPDWAVAQBXWLK-UHFFFAOYSA-N
XLogP6.83
TPSA572.56 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds26
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001678.27
LogP ≤ 56.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 158396413) is 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CNC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1ncccc1S(C)(=O)=O.CNC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1ncccc1S(C)=O.CNC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1ncccc1SC.COc1ccc(N)nn1.
What is the InChIKey of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is GXPDWAVAQBXWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O4S.C17H18N8O3S.C17H18N8O2S.C12H12ClN5OS.C5H7N3O/c1-18-17(26)15-10(20-16-11(30(3,27)28)5-4-8-19-16)9-13(23-25-15)21-12-6-7-14(29-2)24-22-12;1-18-17(26)15-10(20-16-11(29(3)27)5-4-8-19-16)9-13(23-25-15)21-12-6-7-14(28-2)24-22-12;1-18-17(26)15-10(20-16-11(28-3)5-4-8-19-16)9-13(23-25-15)21-12-6-7-14(27-2)24-22-12;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;1-9-5-3-2-4(6)7-8-5/h4-9H,1-3H3,(H,18,26)(H2,19,20,21,22,23);4-9H,1-3H3,(H,18,26)(H2,19,20,21,22,23);4-9H,1-3H3,(H,18,26)(H2,19,20,21,22,23);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-3H,1H3,(H2,6,7).
What are the key properties of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 1678.27 g/mol, XLogP of 6.83, 26 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-methoxypyridazin-3-amine;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfinyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(6-methoxypyridazin-3-yl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 158396413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).