(2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone

C25H28N4O3 — CID 124965406

About (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone

(2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 124965406) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone
• PubChem CID: 124965406
• Molecular Formula: C25H28N4O3
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.22
• IUPAC Name: (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone
• SMILES: COc1c(C)cccc1C(=O)N1CCO[C@@H](c2cc(Nc3cccc(C)n3)cc(C)n2)C1
• InChI: InChI=1S/C25H28N4O3/c1-16-7-5-9-20(24(16)31-4)25(30)29-11-12-32-22(15-29)21-14-19(13-18(3)26-21)28-23-10-6-8-17(2)27-23/h5-10,13-14,22H,11-12,15H2,1-4H3,(H,26,27,28)/t22-/m1/s1
• InChIKey: IEQUANACONZSRS-JOCHJYFZSA-N
• XLogP: 4.37
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone?

The IUPAC name of (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone (CID 124965406) is (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone.

What is the SMILES notation for (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone?

The canonical SMILES for (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone is COc1c(C)cccc1C(=O)N1CCO[C@@H](c2cc(Nc3cccc(C)n3)cc(C)n2)C1.

What is the InChIKey of (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone?

The InChIKey is IEQUANACONZSRS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-7-5-9-20(24(16)31-4)25(30)29-11-12-32-22(15-29)21-14-19(13-18(3)26-21)28-23-10-6-8-17(2)27-23/h5-10,13-14,22H,11-12,15H2,1-4H3,(H,26,27,28)/t22-/m1/s1.

What are the key properties of (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone?

(2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 432.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124965406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).