2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide

C44H58N8O5 — CID 15163201

About 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide

2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide (PubChem CID 15163201) has the molecular formula C44H58N8O5 and a molecular weight of 779.00 g/mol. Its IUPAC name is 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide
• PubChem CID: 15163201
• Molecular Formula: C44H58N8O5
• Molecular Weight: 779.00 g/mol
• Exact Mass: 778.45
• IUPAC Name: 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide
• SMILES: CCN(CC)C(=O)c1cc(C)nc(-c2cc(C(=O)N(CC)CC)cc(COCc3cc(C(=O)N(CC)CC)cc(-c4cc(C(=O)N(CC)CC)cc(C)n4)n3)n2)c1
• InChI: InChI=1S/C44H58N8O5/c1-11-49(12-2)41(53)31-19-29(9)45-37(23-31)39-25-33(43(55)51(15-5)16-6)21-35(47-39)27-57-28-36-22-34(44(56)52(17-7)18-8)26-40(48-36)38-24-32(20-30(10)46-38)42(54)50(13-3)14-4/h19-26H,11-18,27-28H2,1-10H3
• InChIKey: OHBPYLVSQJQMCC-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 142.03 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.00
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide?

The IUPAC name of 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide (CID 15163201) is 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide.

What is the SMILES notation for 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide?

The canonical SMILES for 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc(-c2cc(C(=O)N(CC)CC)cc(COCc3cc(C(=O)N(CC)CC)cc(-c4cc(C(=O)N(CC)CC)cc(C)n4)n3)n2)c1.

What is the InChIKey of 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide?

The InChIKey is OHBPYLVSQJQMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H58N8O5/c1-11-49(12-2)41(53)31-19-29(9)45-37(23-31)39-25-33(43(55)51(15-5)16-6)21-35(47-39)27-57-28-36-22-34(44(56)52(17-7)18-8)26-40(48-36)38-24-32(20-30(10)46-38)42(54)50(13-3)14-4/h19-26H,11-18,27-28H2,1-10H3.

What are the key properties of 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide?

2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide has a molecular weight of 779.00 g/mol, XLogP of 6.86, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 15163201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).