4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C22H23N9O4 — CID 160933628

About 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 160933628) has the molecular formula C22H23N9O4 and a molecular weight of 477.49 g/mol. Its IUPAC name is 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
• PubChem CID: 160933628
• Molecular Formula: C22H23N9O4
• Molecular Weight: 477.49 g/mol
• Exact Mass: 477.19
• IUPAC Name: 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(Nc2cc(C)ccn2)cc1Nc1nccc(-c2noc(COC)n2)c1OC
• InChI: InChI=1S/C22H23N9O4/c1-12-5-7-24-15(9-12)27-16-10-14(18(30-29-16)22(32)23-2)26-21-19(34-4)13(6-8-25-21)20-28-17(11-33-3)35-31-20/h5-10H,11H2,1-4H3,(H,23,32)(H2,24,25,26,27,29)
• InChIKey: STOYUUMGWFFWAK-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 162.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.49
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?

The IUPAC name of 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 160933628) is 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

What is the SMILES notation for 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?

The canonical SMILES for 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2cc(C)ccn2)cc1Nc1nccc(-c2noc(COC)n2)c1OC.

What is the InChIKey of 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?

The InChIKey is STOYUUMGWFFWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O4/c1-12-5-7-24-15(9-12)27-16-10-14(18(30-29-16)22(32)23-2)26-21-19(34-4)13(6-8-25-21)20-28-17(11-33-3)35-31-20/h5-10H,11H2,1-4H3,(H,23,32)(H2,24,25,26,27,29).

What are the key properties of 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?

4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 2.63, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 160933628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).