N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide

C56H63N11O7 — CID 162510059

About N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide

N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 162510059) has the molecular formula C56H63N11O7 and a molecular weight of 1002.19 g/mol. Its IUPAC name is N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide
• PubChem CID: 162510059
• Molecular Formula: C56H63N11O7
• Molecular Weight: 1002.19 g/mol
• Exact Mass: 1001.49
• IUPAC Name: N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide
• SMILES: O=C(CN1CCOCC1)Nc1cccc(CN(Cc2cc(CN(Cc3ccccn3)Cc3cccc(NC(=O)CN4CCOCC4)n3)cc(OCCCCN3C(=O)c4ccccc4C3=O)c2)Cc2ccccn2)n1
• InChI: InChI=1S/C56H63N11O7/c68-53(40-63-22-27-72-28-23-63)61-51-17-9-13-46(59-51)38-65(36-44-11-3-5-19-57-44)34-42-31-43(33-48(32-42)74-26-8-7-21-67-55(70)49-15-1-2-16-50(49)56(67)71)35-66(37-45-12-4-6-20-58-45)39-47-14-10-18-52(60-47)62-54(69)41-64-24-29-73-30-25-64/h1-6,9-20,31-33H,7-8,21-30,34-41H2,(H,59,61,68)(H,60,62,69)
• InChIKey: OKCDWGAHGXMTJO-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 187.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1002.19
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

The IUPAC name of N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide (CID 162510059) is N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide.

What is the SMILES notation for N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

The canonical SMILES for N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cccc(CN(Cc2cc(CN(Cc3ccccn3)Cc3cccc(NC(=O)CN4CCOCC4)n3)cc(OCCCCN3C(=O)c4ccccc4C3=O)c2)Cc2ccccn2)n1.

What is the InChIKey of N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

The InChIKey is OKCDWGAHGXMTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H63N11O7/c68-53(40-63-22-27-72-28-23-63)61-51-17-9-13-46(59-51)38-65(36-44-11-3-5-19-57-44)34-42-31-43(33-48(32-42)74-26-8-7-21-67-55(70)49-15-1-2-16-50(49)56(67)71)35-66(37-45-12-4-6-20-58-45)39-47-14-10-18-52(60-47)62-54(69)41-64-24-29-73-30-25-64/h1-6,9-20,31-33H,7-8,21-30,34-41H2,(H,59,61,68)(H,60,62,69).

What are the key properties of N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 1002.19 g/mol, XLogP of 5.67, 24 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[[3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 162510059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).