N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide

C16H17BrN4O3 — CID 6498598

IUPACN-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccc(Br)cc1)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H17BrN4O3/c17-12-2-4-13(5-3-12)24-11-15(22)20-6-1-7-21-16(23)14-10-18-8-9-19-14/h2-5,8-10H,1,6-7,11H2,(H,20,22)(H,21,23)
InChIKeyAZLMLNDUWDZECU-UHFFFAOYSA-N
MW393.24 g/mol
LogP1.55
Rot. Bonds8

About N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide

N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498598) has the molecular formula C16H17BrN4O3 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
PubChem CID6498598
Molecular FormulaC16H17BrN4O3
Molecular Weight393.24 g/mol
Exact Mass392.05
IUPAC NameN-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccc(Br)cc1)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H17BrN4O3/c17-12-2-4-13(5-3-12)24-11-15(22)20-6-1-7-21-16(23)14-10-18-8-9-19-14/h2-5,8-10H,1,6-7,11H2,(H,20,22)(H,21,23)
InChIKeyAZLMLNDUWDZECU-UHFFFAOYSA-N
XLogP1.55
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide 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 N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (CID 6498598) is N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is O=C(COc1ccc(Br)cc1)NCCCNC(=O)c1cnccn1.
What is the InChIKey of N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is AZLMLNDUWDZECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3/c17-12-2-4-13(5-3-12)24-11-15(22)20-6-1-7-21-16(23)14-10-18-8-9-19-14/h2-5,8-10H,1,6-7,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-bromophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).