N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide

C26H28N4O — CID 77497002

IUPACN-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide
SMILESNc1ccc(-c2cnc(NC(=O)CC3CCCCC3)c(C=Cc3ccccc3)n2)cc1
InChIInChI=1S/C26H28N4O/c27-22-14-12-21(13-15-22)24-18-28-26(30-25(31)17-20-9-5-2-6-10-20)23(29-24)16-11-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,18,20H,2,5-6,9-10,17,27H2,(H,28,30,31)
InChIKeyJWXBLEUIKIEUAS-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.81
Rot. Bonds6

About N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide

N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide (PubChem CID 77497002) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide
PubChem CID77497002
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC NameN-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide
SMILESNc1ccc(-c2cnc(NC(=O)CC3CCCCC3)c(C=Cc3ccccc3)n2)cc1
InChIInChI=1S/C26H28N4O/c27-22-14-12-21(13-15-22)24-18-28-26(30-25(31)17-20-9-5-2-6-10-20)23(29-24)16-11-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,18,20H,2,5-6,9-10,17,27H2,(H,28,30,31)
InChIKeyJWXBLEUIKIEUAS-UHFFFAOYSA-N
XLogP5.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide (CID 77497002) is N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide is Nc1ccc(-c2cnc(NC(=O)CC3CCCCC3)c(C=Cc3ccccc3)n2)cc1.
What is the InChIKey of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide?
The InChIKey is JWXBLEUIKIEUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c27-22-14-12-21(13-15-22)24-18-28-26(30-25(31)17-20-9-5-2-6-10-20)23(29-24)16-11-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,18,20H,2,5-6,9-10,17,27H2,(H,28,30,31).
What are the key properties of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide?
N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide has a molecular weight of 412.54 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 77497002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).