5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine

C29H32N8O3 — CID 176565500

About 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine

5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine (PubChem CID 176565500) has the molecular formula C29H32N8O3 and a molecular weight of 540.63 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine
• PubChem CID: 176565500
• Molecular Formula: C29H32N8O3
• Molecular Weight: 540.63 g/mol
• Exact Mass: 540.26
• IUPAC Name: 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine
• SMILES: CNC.Cc1ccc(NC(=O)c2cc(C3CC3)cnn2)cc1-c1cc(NCCO)nc(-c2ccnc(C=O)c2)n1
• InChI: InChI=1S/C27H25N7O3.C2H7N/c1-16-2-5-20(31-27(37)24-11-19(14-30-34-24)17-3-4-17)12-22(16)23-13-25(29-8-9-35)33-26(32-23)18-6-7-28-21(10-18)15-36;1-3-2/h2,5-7,10-15,17,35H,3-4,8-9H2,1H3,(H,31,37)(H,29,32,33);3H,1-2H3
• InChIKey: QNGDFDSXZXDUBO-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 154.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.63
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine?

The IUPAC name of 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine (CID 176565500) is 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine.

What is the SMILES notation for 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine?

The canonical SMILES for 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine is CNC.Cc1ccc(NC(=O)c2cc(C3CC3)cnn2)cc1-c1cc(NCCO)nc(-c2ccnc(C=O)c2)n1.

What is the InChIKey of 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine?

The InChIKey is QNGDFDSXZXDUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3.C2H7N/c1-16-2-5-20(31-27(37)24-11-19(14-30-34-24)17-3-4-17)12-22(16)23-13-25(29-8-9-35)33-26(32-23)18-6-7-28-21(10-18)15-36;1-3-2/h2,5-7,10-15,17,35H,3-4,8-9H2,1H3,(H,31,37)(H,29,32,33);3H,1-2H3.

What are the key properties of 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine?

5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine has a molecular weight of 540.63 g/mol, XLogP of 3.49, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine is sourced from PubChem (CID 176565500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).