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

C15H15ClN4O3 — CID 6498570

IUPACN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H15ClN4O3/c16-11-3-1-2-4-13(11)23-10-14(21)19-7-8-20-15(22)12-9-17-5-6-18-12/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyLCIGQMWNICXMMK-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.05
Rot. Bonds7

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

N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498570) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498570
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H15ClN4O3/c16-11-3-1-2-4-13(11)23-10-14(21)19-7-8-20-15(22)12-9-17-5-6-18-12/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyLCIGQMWNICXMMK-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

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
Bas 01021500
CID 309188
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2987774
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2992751
Pyrazine-2-carboxylic acid [2-(2-m-tolyloxy-acetylamino)-ethyl]-amide
CID 6498567
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498597
Methyl 6-[(2,4-dichlorophenoxy)methyl]-2-pyrazinecarboxylate
CID 155153755
Pyrazine-2-carboxylic acid {2-[2-(4-chloro-phenoxy)-acetylamino]-ethyl}-amide
CID 6498571
N-(3-{[(4-bromophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498598
N-(2-(7-chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)ethyl)pyrazine-2-carboxamide
CID 91632336

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (CID 6498570) is N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is O=C(COc1ccccc1Cl)NCCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is LCIGQMWNICXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c16-11-3-1-2-4-13(11)23-10-14(21)19-7-8-20-15(22)12-9-17-5-6-18-12/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[2-(2-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-(2-chlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).