N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide

C17H20N4O3 — CID 6498569

IUPACN-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2cnccn2)cc1C
InChIInChI=1S/C17H20N4O3/c1-12-3-4-14(9-13(12)2)24-11-16(22)20-7-8-21-17(23)15-10-18-5-6-19-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYYUUUEKECMJFSW-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.02
Rot. Bonds7

About N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498569) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498569
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2cnccn2)cc1C
InChIInChI=1S/C17H20N4O3/c1-12-3-4-14(9-13(12)2)24-11-16(22)20-7-8-21-17(23)15-10-18-5-6-19-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYYUUUEKECMJFSW-UHFFFAOYSA-N
XLogP1.02
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.02
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

Gsk-207040
CID 10473209
Bevenopran
CID 10452732
N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 470910
4-((5-(2-Fluoro-4-methylphenoxy)pyrazin-2-YL)methyl)-N-methylmorpholine-2-carboxamide, (2S)-
CID 146526316
N'-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
CID 934383
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6456985
N-{3-[2-(3,4-Dimethyl-phenoxy)-acetylamino]-propyl}-nicotinamide
CID 6490918
Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 16552535
N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 24687321
N-(2-phenoxyethyl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 11661782

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (CID 6498569) is N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is Cc1ccc(OCC(=O)NCCNC(=O)c2cnccn2)cc1C.
What is the InChIKey of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is YYUUUEKECMJFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-3-4-14(9-13(12)2)24-11-16(22)20-7-8-21-17(23)15-10-18-5-6-19-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).