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

C15H15ClN4O3 — CID 6498571

IUPACN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H15ClN4O3/c16-11-1-3-12(4-2-11)23-10-14(21)19-7-8-20-15(22)13-9-17-5-6-18-13/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyWSFAXMIORCLGHT-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.05
Rot. Bonds7

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

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498571) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498571
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H15ClN4O3/c16-11-1-3-12(4-2-11)23-10-14(21)19-7-8-20-15(22)13-9-17-5-6-18-13/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyWSFAXMIORCLGHT-UHFFFAOYSA-N
XLogP1.05
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(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-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
CID 71993926
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-{[(4-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498597
US11166958, Example 5
CID 146526322
N-(3-{[(4-bromophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498598

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (CID 6498571) is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is WSFAXMIORCLGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c16-11-1-3-12(4-2-11)23-10-14(21)19-7-8-20-15(22)13-9-17-5-6-18-13/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 334.76 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).