4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide

C28H26N6O4 — CID 71022334

About 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide

4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide (PubChem CID 71022334) has the molecular formula C28H26N6O4 and a molecular weight of 510.55 g/mol. Its IUPAC name is 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
• PubChem CID: 71022334
• Molecular Formula: C28H26N6O4
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.20
• IUPAC Name: 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)[nH]n3)c2)cc1
• InChI: InChI=1S/C28H26N6O4/c1-18-5-7-19(8-6-18)26(35)30-22-4-2-3-20(15-22)23-16-24(27(36)33-32-23)31-25-10-9-21(17-29-25)28(37)34-11-13-38-14-12-34/h2-10,15-17H,11-14H2,1H3,(H,30,35)(H,33,36)(H,29,31,32)
• InChIKey: FLFWZQMOPVOKTE-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide?

The IUPAC name of 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide (CID 71022334) is 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide.

What is the SMILES notation for 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide?

The canonical SMILES for 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)[nH]n3)c2)cc1.

What is the InChIKey of 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide?

The InChIKey is FLFWZQMOPVOKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O4/c1-18-5-7-19(8-6-18)26(35)30-22-4-2-3-20(15-22)23-16-24(27(36)33-32-23)31-25-10-9-21(17-29-25)28(37)34-11-13-38-14-12-34/h2-10,15-17H,11-14H2,1H3,(H,30,35)(H,33,36)(H,29,31,32).

What are the key properties of 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide?

4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide has a molecular weight of 510.55 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 71022334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).