2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide

C24H36N6O4 — CID 143894242

About 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide

2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide (PubChem CID 143894242) has the molecular formula C24H36N6O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

• Compound Name: 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide
• PubChem CID: 143894242
• Molecular Formula: C24H36N6O4
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.28
• IUPAC Name: 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide
• SMILES: C=C(N)/N=C1C(=C(/C)OC)\N(CC(=O)N(CC)CC)C(=O)CN\1Cc1ncc(C)c(OC)c1C
• InChI: InChI=1S/C24H36N6O4/c1-9-28(10-2)20(31)14-30-21(32)13-29(24(27-18(6)25)22(30)17(5)33-7)12-19-16(4)23(34-8)15(3)11-26-19/h11H,6,9-10,12-14,25H2,1-5,7-8H3/b22-17-,27-24+
• InChIKey: YEWXNVVADRSJIT-LNBBTWALSA-N
• XLogP: 1.93
• TPSA: 113.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide?

The IUPAC name of 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide (CID 143894242) is 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide.

What is the SMILES notation for 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide?

The canonical SMILES for 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide is C=C(N)/N=C1C(=C(/C)OC)\N(CC(=O)N(CC)CC)C(=O)CN\1Cc1ncc(C)c(OC)c1C.

What is the InChIKey of 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide?

The InChIKey is YEWXNVVADRSJIT-LNBBTWALSA-N. The full InChI is InChI=1S/C24H36N6O4/c1-9-28(10-2)20(31)14-30-21(32)13-29(24(27-18(6)25)22(30)17(5)33-7)12-19-16(4)23(34-8)15(3)11-26-19/h11H,6,9-10,12-14,25H2,1-5,7-8H3/b22-17-,27-24+.

What are the key properties of 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide?

2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 472.59 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z,3E)-3-(1-aminoethenylimino)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(1-methoxyethylidene)-6-oxopiperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 143894242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).