2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide

C24H26N6O3 — CID 90460391

About 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide

2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90460391) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
• PubChem CID: 90460391
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
• SMILES: COc1nnc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc1N1CCOCC1
• InChI: InChI=1S/C24H26N6O3/c1-15-19(21-13-22(24(32-2)29-28-21)30-7-9-33-10-8-30)12-18(14-26-15)27-23(31)17-5-6-25-20(11-17)16-3-4-16/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,27,31)
• InChIKey: PZAPAXHBQRINIV-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide (CID 90460391) is 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide is COc1nnc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc1N1CCOCC1.

What is the InChIKey of 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide?

The InChIKey is PZAPAXHBQRINIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15-19(21-13-22(24(32-2)29-28-21)30-7-9-33-10-8-30)12-18(14-26-15)27-23(31)17-5-6-25-20(11-17)16-3-4-16/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,27,31).

What are the key properties of 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide?

2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90460391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).