methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate

C30H30Cl2N2O5 — CID 130459498

About methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate

methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate (PubChem CID 130459498) has the molecular formula C30H30Cl2N2O5 and a molecular weight of 569.49 g/mol. Its IUPAC name is methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate
• PubChem CID: 130459498
• Molecular Formula: C30H30Cl2N2O5
• Molecular Weight: 569.49 g/mol
• Exact Mass: 568.15
• IUPAC Name: methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate
• SMILES: COC(=O)c1ccc(C[C@@]2(C)OC(c3cccc(Cl)c3)C(c3ccc(Cl)cc3)N(C(CO)C3CC3)C2=O)nc1
• InChI: InChI=1S/C30H30Cl2N2O5/c1-30(15-24-13-10-21(16-33-24)28(36)38-2)29(37)34(25(17-35)18-6-7-18)26(19-8-11-22(31)12-9-19)27(39-30)20-4-3-5-23(32)14-20/h3-5,8-14,16,18,25-27,35H,6-7,15,17H2,1-2H3/t25?,26?,27?,30-/m1/s1
• InChIKey: KMAQYCFCKOVUGU-APTZQLOUSA-N
• XLogP: 5.59
• TPSA: 88.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.49
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate?

The IUPAC name of methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate (CID 130459498) is methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate?

The canonical SMILES for methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(C[C@@]2(C)OC(c3cccc(Cl)c3)C(c3ccc(Cl)cc3)N(C(CO)C3CC3)C2=O)nc1.

What is the InChIKey of methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate?

The InChIKey is KMAQYCFCKOVUGU-APTZQLOUSA-N. The full InChI is InChI=1S/C30H30Cl2N2O5/c1-30(15-24-13-10-21(16-33-24)28(36)38-2)29(37)34(25(17-35)18-6-7-18)26(19-8-11-22(31)12-9-19)27(39-30)20-4-3-5-23(32)14-20/h3-5,8-14,16,18,25-27,35H,6-7,15,17H2,1-2H3/t25?,26?,27?,30-/m1/s1.

What are the key properties of methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate?

methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate has a molecular weight of 569.49 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[[(2R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-cyclopropyl-2-hydroxyethyl)-2-methyl-3-oxomorpholin-2-yl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 130459498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).