6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide

C23H26N10O2 — CID 164599379

About 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 164599379) has the molecular formula C23H26N10O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
• PubChem CID: 164599379
• Molecular Formula: C23H26N10O2
• Molecular Weight: 474.53 g/mol
• Exact Mass: 474.22
• IUPAC Name: 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
• SMILES: Cc1cncc(C)c1CNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
• InChI: InChI=1S/C23H26N10O2/c1-14-7-26-8-15(2)18(14)12-30-23(34)22-19(28-11-17-10-25-3-4-35-17)5-20(32-33-22)31-21-13-27-16(6-24)9-29-21/h5,7-9,13,17,25H,3-4,10-12H2,1-2H3,(H,30,34)(H2,28,29,31,32)
• InChIKey: LXSDXVNWMLHJHB-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 162.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.53
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide?

The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide (CID 164599379) is 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide?

The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide is Cc1cncc(C)c1CNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1.

What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide?

The InChIKey is LXSDXVNWMLHJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O2/c1-14-7-26-8-15(2)18(14)12-30-23(34)22-19(28-11-17-10-25-3-4-35-17)5-20(32-33-22)31-21-13-27-16(6-24)9-29-21/h5,7-9,13,17,25H,3-4,10-12H2,1-2H3,(H,30,34)(H2,28,29,31,32).

What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide?

6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 1.22, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 164599379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).