2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide

C23H26ClN7O2 — CID 11081135

IUPAC2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2c(-c3ccccc3)c(Cl)nc(NCCCN)c2=O)cc1
InChIInChI=1S/C23H26ClN7O2/c24-20-19(16-5-2-1-3-6-16)31(23(33)22(30-20)28-12-4-11-25)14-18(32)29-13-15-7-9-17(10-8-15)21(26)27/h1-3,5-10H,4,11-14,25H2,(H3,26,27)(H,28,30)(H,29,32)
InChIKeyGNRDXVUGTIYDJV-UHFFFAOYSA-N
MW467.96 g/mol
LogP1.92
Rot. Bonds10

About 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide

2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide (PubChem CID 11081135) has the molecular formula C23H26ClN7O2 and a molecular weight of 467.96 g/mol. Its IUPAC name is 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
PubChem CID11081135
Molecular FormulaC23H26ClN7O2
Molecular Weight467.96 g/mol
Exact Mass467.18
IUPAC Name2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2c(-c3ccccc3)c(Cl)nc(NCCCN)c2=O)cc1
InChIInChI=1S/C23H26ClN7O2/c24-20-19(16-5-2-1-3-6-16)31(23(33)22(30-20)28-12-4-11-25)14-18(32)29-13-15-7-9-17(10-8-15)21(26)27/h1-3,5-10H,4,11-14,25H2,(H3,26,27)(H,28,30)(H,29,32)
InChIKeyGNRDXVUGTIYDJV-UHFFFAOYSA-N
XLogP1.92
TPSA151.91 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 51.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide (CID 11081135) is 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide is [H]/N=C(\N)c1ccc(CNC(=O)Cn2c(-c3ccccc3)c(Cl)nc(NCCCN)c2=O)cc1.
What is the InChIKey of 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide?
The InChIKey is GNRDXVUGTIYDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O2/c24-20-19(16-5-2-1-3-6-16)31(23(33)22(30-20)28-12-4-11-25)14-18(32)29-13-15-7-9-17(10-8-15)21(26)27/h1-3,5-10H,4,11-14,25H2,(H3,26,27)(H,28,30)(H,29,32).
What are the key properties of 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide?
2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide has a molecular weight of 467.96 g/mol, XLogP of 1.92, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide is sourced from PubChem (CID 11081135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).