5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

C23H30N4O5 — CID 126676861

About 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126676861) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
• PubChem CID: 126676861
• Molecular Formula: C23H30N4O5
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.22
• IUPAC Name: 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
• SMILES: CNC(=O)c1cc(C(=O)NC2CCC(N)CC2)cn(Cc2cccc(OCCO)c2)c1=O
• InChI: InChI=1S/C23H30N4O5/c1-25-22(30)20-12-16(21(29)26-18-7-5-17(24)6-8-18)14-27(23(20)31)13-15-3-2-4-19(11-15)32-10-9-28/h2-4,11-12,14,17-18,28H,5-10,13,24H2,1H3,(H,25,30)(H,26,29)
• InChIKey: VWVGOQASXOZASN-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 135.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?

The IUPAC name of 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 126676861) is 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

What is the SMILES notation for 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?

The canonical SMILES for 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(N)CC2)cn(Cc2cccc(OCCO)c2)c1=O.

What is the InChIKey of 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?

The InChIKey is VWVGOQASXOZASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-25-22(30)20-12-16(21(29)26-18-7-5-17(24)6-8-18)14-27(23(20)31)13-15-3-2-4-19(11-15)32-10-9-28/h2-4,11-12,14,17-18,28H,5-10,13,24H2,1H3,(H,25,30)(H,26,29).

What are the key properties of 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?

5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 442.52 g/mol, XLogP of 0.63, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126676861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).