4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide

C39H45N5O6 — CID 159817032

About 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide

4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 159817032) has the molecular formula C39H45N5O6 and a molecular weight of 679.82 g/mol. Its IUPAC name is 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide
• PubChem CID: 159817032
• Molecular Formula: C39H45N5O6
• Molecular Weight: 679.82 g/mol
• Exact Mass: 679.34
• IUPAC Name: 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide
• SMILES: COc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN5CCOCC5)cn4)c3C)c2C)ncc1CN1CCOCC1
• InChI: InChI=1S/C39H45N5O6/c1-26-28(19-36(45)34-20-37(47-3)29(22-40-34)24-43-11-15-49-16-12-43)7-5-8-31(26)32-9-6-10-33(27(32)2)42-39(46)35-21-38(48-4)30(23-41-35)25-44-13-17-50-18-14-44/h5-10,20-23H,11-19,24-25H2,1-4H3,(H,42,46)
• InChIKey: SQAPCEQQCWOJFM-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 115.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.82
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide?

The IUPAC name of 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide (CID 159817032) is 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide.

What is the SMILES notation for 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide?

The canonical SMILES for 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide is COc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN5CCOCC5)cn4)c3C)c2C)ncc1CN1CCOCC1.

What is the InChIKey of 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide?

The InChIKey is SQAPCEQQCWOJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45N5O6/c1-26-28(19-36(45)34-20-37(47-3)29(22-40-34)24-43-11-15-49-16-12-43)7-5-8-31(26)32-9-6-10-33(27(32)2)42-39(46)35-21-38(48-4)30(23-41-35)25-44-13-17-50-18-14-44/h5-10,20-23H,11-19,24-25H2,1-4H3,(H,42,46).

What are the key properties of 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide?

4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 679.82 g/mol, XLogP of 5.12, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 159817032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).