5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide

C27H25N3O2 — CID 11661782

IUPAC5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCCOc3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-19-8-12-21(13-9-19)25-26(22-14-10-20(2)11-15-22)30-24(18-29-25)27(31)28-16-17-32-23-6-4-3-5-7-23/h3-15,18H,16-17H2,1-2H3,(H,28,31)
InChIKeyNCUFVFKMLXNGGJ-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.24
Rot. Bonds7

About 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide

5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide (PubChem CID 11661782) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide
PubChem CID11661782
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCCOc3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-19-8-12-21(13-9-19)25-26(22-14-10-20(2)11-15-22)30-24(18-29-25)27(31)28-16-17-32-23-6-4-3-5-7-23/h3-15,18H,16-17H2,1-2H3,(H,28,31)
InChIKeyNCUFVFKMLXNGGJ-UHFFFAOYSA-N
XLogP5.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.24
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

5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 10216322
N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide
CID 10216436
N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 470910
N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 862103
N-(m-Tolyl)-6-(4-ethoxyphenyl)-pyrazine-2-carboxamide
CID 52947201
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6456985
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

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide (CID 11661782) is 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide is Cc1ccc(-c2ncc(C(=O)NCCOc3ccccc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide?
The InChIKey is NCUFVFKMLXNGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-19-8-12-21(13-9-19)25-26(22-14-10-20(2)11-15-22)30-24(18-29-25)27(31)28-16-17-32-23-6-4-3-5-7-23/h3-15,18H,16-17H2,1-2H3,(H,28,31).
What are the key properties of 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide?
5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methylphenyl)-N-(2-phenoxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 11661782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).