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

C16H17ClN4O3 — CID 6498597

IUPACN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H17ClN4O3/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)
InChIKeyFDAFQUIVSXGJIX-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.45
Rot. Bonds8

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

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498597) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
PubChem CID6498597
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H17ClN4O3/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)
InChIKeyFDAFQUIVSXGJIX-UHFFFAOYSA-N
XLogP1.45
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.45
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-chlorophenoxy)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

Related Compounds

N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 862098
2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2572372
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2988519
Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N-(2-{[(3,4-dimethylphenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498569
N-(3-{[(2-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498596
N-(3-{[(2,4-dichlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498608
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2987774
Pyrazine-2-carboxylic acid [2-(2-m-tolyloxy-acetylamino)-ethyl]-amide
CID 6498567
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498570
N-(3-{[(3,4-dimethylphenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498595
N-(2-{[(4-chlorophenoxy)acetyl]amino}ethyl)-6-methylpyridine-3-carboxamide
CID 6498631

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (CID 6498597) is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is O=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1cnccn1.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is FDAFQUIVSXGJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/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-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 1.45, 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-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).