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

C30H24N4O — CID 77496997

IUPACN-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
SMILESNc1ccc(-c2cnc(NC(=O)Cc3ccc4ccccc4c3)c(C=Cc3ccccc3)n2)cc1
InChIInChI=1S/C30H24N4O/c31-26-15-13-24(14-16-26)28-20-32-30(27(33-28)17-11-21-6-2-1-3-7-21)34-29(35)19-22-10-12-23-8-4-5-9-25(23)18-22/h1-18,20H,19,31H2,(H,32,34,35)
InChIKeyLHSHNJGDJDUPOT-UHFFFAOYSA-N
MW456.55 g/mol
LogP6.23
Rot. Bonds6

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

N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide (PubChem CID 77496997) has the molecular formula C30H24N4O and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
PubChem CID77496997
Molecular FormulaC30H24N4O
Molecular Weight456.55 g/mol
Exact Mass456.20
IUPAC NameN-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
SMILESNc1ccc(-c2cnc(NC(=O)Cc3ccc4ccccc4c3)c(C=Cc3ccccc3)n2)cc1
InChIInChI=1S/C30H24N4O/c31-26-15-13-24(14-16-26)28-20-32-30(27(33-28)17-11-21-6-2-1-3-7-21)34-29(35)19-22-10-12-23-8-4-5-9-25(23)18-22/h1-18,20H,19,31H2,(H,32,34,35)
InChIKeyLHSHNJGDJDUPOT-UHFFFAOYSA-N
XLogP6.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.23
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-naphthalen-2-ylacetamide?
The IUPAC name of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide (CID 77496997) is N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide is Nc1ccc(-c2cnc(NC(=O)Cc3ccc4ccccc4c3)c(C=Cc3ccccc3)n2)cc1.
What is the InChIKey of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is LHSHNJGDJDUPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O/c31-26-15-13-24(14-16-26)28-20-32-30(27(33-28)17-11-21-6-2-1-3-7-21)34-29(35)19-22-10-12-23-8-4-5-9-25(23)18-22/h1-18,20H,19,31H2,(H,32,34,35).
What are the key properties of N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide?
N-[5-(4-aminophenyl)-3-(2-phenylethenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 456.55 g/mol, XLogP of 6.23, 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-naphthalen-2-ylacetamide is sourced from PubChem (CID 77496997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).