N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

C30H36N4O4 — CID 3184761

About N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 3184761) has the molecular formula C30H36N4O4 and a molecular weight of 516.64 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
• PubChem CID: 3184761
• Molecular Formula: C30H36N4O4
• Molecular Weight: 516.64 g/mol
• Exact Mass: 516.27
• IUPAC Name: N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
• SMILES: COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(C(C)C)cc2)cc1OC
• InChI: InChI=1S/C30H36N4O4/c1-20(2)21-10-13-24(14-11-21)34(30(36)25-19-31-16-17-32-25)28(29(35)33-23-8-6-5-7-9-23)22-12-15-26(37-3)27(18-22)38-4/h10-20,23,28H,5-9H2,1-4H3,(H,33,35)
• InChIKey: RBXIGJIEWNPFLI-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.64
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?

The IUPAC name of N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 3184761) is N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(C(C)C)cc2)cc1OC.

What is the InChIKey of N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?

The InChIKey is RBXIGJIEWNPFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O4/c1-20(2)21-10-13-24(14-11-21)34(30(36)25-19-31-16-17-32-25)28(29(35)33-23-8-6-5-7-9-23)22-12-15-26(37-3)27(18-22)38-4/h10-20,23,28H,5-9H2,1-4H3,(H,33,35).

What are the key properties of N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?

N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 516.64 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3184761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).