(E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide

C22H24N6O — CID 122288698

About (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide

(E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide (PubChem CID 122288698) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
• PubChem CID: 122288698
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
• SMILES: Cc1ccnc(Nc2ccc(NCCNC(=O)/C=C/c3ccccc3C)nn2)c1
• InChI: InChI=1S/C22H24N6O/c1-16-11-12-23-21(15-16)26-20-9-8-19(27-28-20)24-13-14-25-22(29)10-7-18-6-4-3-5-17(18)2/h3-12,15H,13-14H2,1-2H3,(H,24,27)(H,25,29)(H,23,26,28)/b10-7+
• InChIKey: BGQXAPFXYSOHJW-JXMROGBWSA-N
• XLogP: 3.47
• TPSA: 91.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide?

The IUPAC name of (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide (CID 122288698) is (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide.

What is the SMILES notation for (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide?

The canonical SMILES for (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide is Cc1ccnc(Nc2ccc(NCCNC(=O)/C=C/c3ccccc3C)nn2)c1.

What is the InChIKey of (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide?

The InChIKey is BGQXAPFXYSOHJW-JXMROGBWSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-11-12-23-21(15-16)26-20-9-8-19(27-28-20)24-13-14-25-22(29)10-7-18-6-4-3-5-17(18)2/h3-12,15H,13-14H2,1-2H3,(H,24,27)(H,25,29)(H,23,26,28)/b10-7+.

What are the key properties of (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide?

(E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide has a molecular weight of 388.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 122288698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).