6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide

C24H30N8O — CID 175501369

About 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide

6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 175501369) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide
• PubChem CID: 175501369
• Molecular Formula: C24H30N8O
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.25
• IUPAC Name: 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide
• SMILES: CC(C)c1ccccc1Nc1cc(Nc2ccc(N3CCN(C)CC3)nn2)ncc1C(N)=O
• InChI: InChI=1S/C24H30N8O/c1-16(2)17-6-4-5-7-19(17)27-20-14-22(26-15-18(20)24(25)33)28-21-8-9-23(30-29-21)32-12-10-31(3)11-13-32/h4-9,14-16H,10-13H2,1-3H3,(H2,25,33)(H2,26,27,28,29)
• InChIKey: QEYWZKCCTBNDEW-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 112.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide?

The IUPAC name of 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide (CID 175501369) is 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide.

What is the SMILES notation for 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide?

The canonical SMILES for 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide is CC(C)c1ccccc1Nc1cc(Nc2ccc(N3CCN(C)CC3)nn2)ncc1C(N)=O.

What is the InChIKey of 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide?

The InChIKey is QEYWZKCCTBNDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-16(2)17-6-4-5-7-19(17)27-20-14-22(26-15-18(20)24(25)33)28-21-8-9-23(30-29-21)32-12-10-31(3)11-13-32/h4-9,14-16H,10-13H2,1-3H3,(H2,25,33)(H2,26,27,28,29).

What are the key properties of 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide?

6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 175501369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).