4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide

C40H37N15O3 — CID 157271769

IUPAC4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2noc(C)n2)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C#N)c1C
InChIInChI=1S/C21H20N8O2.C19H17N7O/c1-12-14(20-24-13(2)31-29-20)7-6-8-15(12)25-16-11-18(26-17-9-4-5-10-23-17)27-28-19(16)21(30)22-3;1-12-13(11-20)6-5-7-14(12)23-15-10-17(24-16-8-3-4-9-22-16)25-26-18(15)19(27)21-2/h4-11H,1-3H3,(H,22,30)(H2,23,25,26,27);3-10H,1-2H3,(H,21,27)(H2,22,23,24,25)
InChIKeyAYPVKALXQYCOGI-UHFFFAOYSA-N
MW775.84 g/mol
LogP6.28
Rot. Bonds11

About 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide

4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (PubChem CID 157271769) has the molecular formula C40H37N15O3 and a molecular weight of 775.84 g/mol. Its IUPAC name is 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
PubChem CID157271769
Molecular FormulaC40H37N15O3
Molecular Weight775.84 g/mol
Exact Mass775.32
IUPAC Name4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2noc(C)n2)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C#N)c1C
InChIInChI=1S/C21H20N8O2.C19H17N7O/c1-12-14(20-24-13(2)31-29-20)7-6-8-15(12)25-16-11-18(26-17-9-4-5-10-23-17)27-28-19(16)21(30)22-3;1-12-13(11-20)6-5-7-14(12)23-15-10-17(24-16-8-3-4-9-22-16)25-26-18(15)19(27)21-2/h4-11H,1-3H3,(H,22,30)(H2,23,25,26,27);3-10H,1-2H3,(H,21,27)(H2,22,23,24,25)
InChIKeyAYPVKALXQYCOGI-UHFFFAOYSA-N
XLogP6.28
TPSA246.37 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500775.84
LogP ≤ 56.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (CID 157271769) is 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2noc(C)n2)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C#N)c1C.
What is the InChIKey of 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is AYPVKALXQYCOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2.C19H17N7O/c1-12-14(20-24-13(2)31-29-20)7-6-8-15(12)25-16-11-18(26-17-9-4-5-10-23-17)27-28-19(16)21(30)22-3;1-12-13(11-20)6-5-7-14(12)23-15-10-17(24-16-8-3-4-9-22-16)25-26-18(15)19(27)21-2/h4-11H,1-3H3,(H,22,30)(H2,23,25,26,27);3-10H,1-2H3,(H,21,27)(H2,22,23,24,25).
What are the key properties of 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 775.84 g/mol, XLogP of 6.28, 11 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 157271769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).