N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide

C29H34N4O5 — CID 3184615

About N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 3184615) has the molecular formula C29H34N4O5 and a molecular weight of 518.61 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
• PubChem CID: 3184615
• Molecular Formula: C29H34N4O5
• Molecular Weight: 518.61 g/mol
• Exact Mass: 518.25
• IUPAC Name: N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
• SMILES: COc1cc(C(C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(C)cc2)cc(OC)c1OC
• InChI: InChI=1S/C29H34N4O5/c1-19-10-12-22(13-11-19)33(29(35)23-18-30-14-15-31-23)26(28(34)32-21-8-6-5-7-9-21)20-16-24(36-2)27(38-4)25(17-20)37-3/h10-18,21,26H,5-9H2,1-4H3,(H,32,34)
• InChIKey: GGFALJQQXSQLLJ-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.61
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?

The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 3184615) is N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide is COc1cc(C(C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(C)cc2)cc(OC)c1OC.

What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?

The InChIKey is GGFALJQQXSQLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O5/c1-19-10-12-22(13-11-19)33(29(35)23-18-30-14-15-31-23)26(28(34)32-21-8-6-5-7-9-21)20-16-24(36-2)27(38-4)25(17-20)37-3/h10-18,21,26H,5-9H2,1-4H3,(H,32,34).

What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?

N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 518.61 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3184615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).