benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium

C66H75N11O8Ru — CID 139258420

About benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium

benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 139258420) has the molecular formula C66H75N11O8Ru and a molecular weight of 1251.46 g/mol. Its IUPAC name is benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

• Compound Name: benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium
• PubChem CID: 139258420
• Molecular Formula: C66H75N11O8Ru
• Molecular Weight: 1251.46 g/mol
• Exact Mass: 1251.48
• IUPAC Name: benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium
• SMILES: COCCOCCNC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)OCc1ccccc1)C/N=C/c1ccnc(-c2cc(C)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C46H59N7O8.2C10H8N2.Ru/c1-35-19-23-48-41(29-35)42-30-38(20-24-49-42)31-47-32-39(17-9-11-21-51-45(56)60-33-36-13-5-3-6-14-36)43(54)53-40(44(55)50-25-26-59-28-27-58-2)18-10-12-22-52-46(57)61-34-37-15-7-4-8-16-37;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-8,13-16,19-20,23-24,29-31,39-40H,9-12,17-18,21-22,25-28,32-34H2,1-2H3,(H,50,55)(H,51,56)(H,52,57)(H,53,54);2*1-8H;/b47-31+
• InChIKey: RPVUHQDQNYMAQF-SEWJFGKBSA-N
• XLogP: 10.23
• TPSA: 243.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1251.46
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium?

The IUPAC name of benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium (CID 139258420) is benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium.

What is the SMILES notation for benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium?

The canonical SMILES for benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium is COCCOCCNC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)OCc1ccccc1)C/N=C/c1ccnc(-c2cc(C)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium?

The InChIKey is RPVUHQDQNYMAQF-SEWJFGKBSA-N. The full InChI is InChI=1S/C46H59N7O8.2C10H8N2.Ru/c1-35-19-23-48-41(29-35)42-30-38(20-24-49-42)31-47-32-39(17-9-11-21-51-45(56)60-33-36-13-5-3-6-14-36)43(54)53-40(44(55)50-25-26-59-28-27-58-2)18-10-12-22-52-46(57)61-34-37-15-7-4-8-16-37;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-8,13-16,19-20,23-24,29-31,39-40H,9-12,17-18,21-22,25-28,32-34H2,1-2H3,(H,50,55)(H,51,56)(H,52,57)(H,53,54);2*1-8H;/b47-31+;;;.

What are the key properties of benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium?

benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 1251.46 g/mol, XLogP of 10.23, 29 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[6-[2-(2-methoxyethoxy)ethylamino]-5-[[2-[[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylideneamino]methyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 139258420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).