6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide

C14H14ClN3O2 — CID 103186858

IUPAC6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2cncc(Cl)n2)c1
InChIInChI=1S/C14H14ClN3O2/c1-10-3-2-4-11(7-10)20-6-5-17-14(19)12-8-16-9-13(15)18-12/h2-4,7-9H,5-6H2,1H3,(H,17,19)
InChIKeyHPWOLKKRDOYONY-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.25
Rot. Bonds5

About 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide

6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide (PubChem CID 103186858) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide
PubChem CID103186858
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2cncc(Cl)n2)c1
InChIInChI=1S/C14H14ClN3O2/c1-10-3-2-4-11(7-10)20-6-5-17-14(19)12-8-16-9-13(15)18-12/h2-4,7-9H,5-6H2,1H3,(H,17,19)
InChIKeyHPWOLKKRDOYONY-UHFFFAOYSA-N
XLogP2.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]isoquinoline-4-carboxamide
CID 166186678
4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18115644
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369462
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
3-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 105071680
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide (CID 103186858) is 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide is Cc1cccc(OCCNC(=O)c2cncc(Cl)n2)c1.
What is the InChIKey of 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide?
The InChIKey is HPWOLKKRDOYONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-10-3-2-4-11(7-10)20-6-5-17-14(19)12-8-16-9-13(15)18-12/h2-4,7-9H,5-6H2,1H3,(H,17,19).
What are the key properties of 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide?
6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103186858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).