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

C21H20N8O2 — CID 118462851

IUPACN-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nc(C)no2)c1C
InChIInChI=1S/C21H20N8O2/c1-12-14(21-24-13(2)29-31-21)7-6-8-15(12)25-16-11-18(26-17-9-4-5-10-23-17)27-28-19(16)20(30)22-3/h4-11H,1-3H3,(H,22,30)(H2,23,25,26,27)
InChIKeyIVOQDKUCCFMQFF-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.39
Rot. Bonds6

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

N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (PubChem CID 118462851) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
PubChem CID118462851
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC NameN-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nc(C)no2)c1C
InChIInChI=1S/C21H20N8O2/c1-12-14(21-24-13(2)29-31-21)7-6-8-15(12)25-16-11-18(26-17-9-4-5-10-23-17)27-28-19(16)20(30)22-3/h4-11H,1-3H3,(H,22,30)(H2,23,25,26,27)
InChIKeyIVOQDKUCCFMQFF-UHFFFAOYSA-N
XLogP3.39
TPSA130.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (CID 118462851) is N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nc(C)no2)c1C.
What is the InChIKey of N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is IVOQDKUCCFMQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-12-14(21-24-13(2)29-31-21)7-6-8-15(12)25-16-11-18(26-17-9-4-5-10-23-17)27-28-19(16)20(30)22-3/h4-11H,1-3H3,(H,22,30)(H2,23,25,26,27).
What are the key properties of N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 118462851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).