N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide

C23H27N7O — CID 56919468

About N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide

N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 56919468) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
• PubChem CID: 56919468
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
• SMILES: CCc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c1
• InChI: InChI=1S/C23H27N7O/c1-3-18-5-4-6-19(15-18)25-23(31)30-13-11-29(12-14-30)22-10-9-21(27-28-22)26-20-8-7-17(2)16-24-20/h4-10,15-16H,3,11-14H2,1-2H3,(H,25,31)(H,24,26,27)
• InChIKey: NBSXXYOLRJMXCA-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 86.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?

The IUPAC name of N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide (CID 56919468) is N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?

The canonical SMILES for N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide is CCc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c1.

What is the InChIKey of N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?

The InChIKey is NBSXXYOLRJMXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-3-18-5-4-6-19(15-18)25-23(31)30-13-11-29(12-14-30)22-10-9-21(27-28-22)26-20-8-7-17(2)16-24-20/h4-10,15-16H,3,11-14H2,1-2H3,(H,25,31)(H,24,26,27).

What are the key properties of N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?

N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 56919468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).