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

C52H52ClF2N21O5S — CID 159860535

IUPAC6-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
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ncccc1S(C)(=O)=O.Cc1ccc(N)nc1
InChIInChI=1S/C17H16FN7O3S.C17H16FN7O.C12H12ClN5O.C6H8N2/c1-19-17(26)15-11(22-16-12(29(2,27)28)4-3-7-20-16)8-14(24-25-15)23-13-6-5-10(18)9-21-13;1-10-4-3-7-20-16(10)22-12-8-14(24-25-15(12)17(26)19-2)23-13-6-5-11(18)9-21-13;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-5-2-3-6(7)8-4-5/h3-9H,1-2H3,(H,19,26)(H2,20,21,22,23,24);3-9H,1-2H3,(H,19,26)(H2,20,21,22,23,24);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-4H,1H3,(H2,7,8)
InChIKeyNRBVMLMONMLFSX-UHFFFAOYSA-N
MW1156.65 g/mol
LogP7.13
Rot. Bonds14

About 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

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 (PubChem CID 159860535) has the molecular formula C52H52ClF2N21O5S and a molecular weight of 1156.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID159860535
Molecular FormulaC52H52ClF2N21O5S
Molecular Weight1156.65 g/mol
Exact Mass1155.38
IUPAC Name6-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
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ncccc1S(C)(=O)=O.Cc1ccc(N)nc1
InChIInChI=1S/C17H16FN7O3S.C17H16FN7O.C12H12ClN5O.C6H8N2/c1-19-17(26)15-11(22-16-12(29(2,27)28)4-3-7-20-16)8-14(24-25-15)23-13-6-5-10(18)9-21-13;1-10-4-3-7-20-16(10)22-12-8-14(24-25-15(12)17(26)19-2)23-13-6-5-11(18)9-21-13;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-5-2-3-6(7)8-4-5/h3-9H,1-2H3,(H,19,26)(H2,20,21,22,23,24);3-9H,1-2H3,(H,19,26)(H2,20,21,22,23,24);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-4H,1H3,(H2,7,8)
InChIKeyNRBVMLMONMLFSX-UHFFFAOYSA-N
XLogP7.13
TPSA362.29 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001156.65
LogP ≤ 57.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ncccc1S(C)(=O)=O.Cc1ccc(N)nc1.
What is the InChIKey of 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?
The InChIKey is NRBVMLMONMLFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O3S.C17H16FN7O.C12H12ClN5O.C6H8N2/c1-19-17(26)15-11(22-16-12(29(2,27)28)4-3-7-20-16)8-14(24-25-15)23-13-6-5-10(18)9-21-13;1-10-4-3-7-20-16(10)22-12-8-14(24-25-15(12)17(26)19-2)23-13-6-5-11(18)9-21-13;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-5-2-3-6(7)8-4-5/h3-9H,1-2H3,(H,19,26)(H2,20,21,22,23,24);3-9H,1-2H3,(H,19,26)(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;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?
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 has a molecular weight of 1156.65 g/mol, XLogP of 7.13, 14 rotatable bonds, 9 hydrogen bond donors, and 23 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;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 is sourced from PubChem (CID 159860535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).