6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide

C21H18N4O2 — CID 52947194

IUPAC6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2cncc(-c3ccc(C#N)cc3)n2)c1
InChIInChI=1S/C21H18N4O2/c1-14(2)27-18-5-3-4-17(10-18)24-21(26)20-13-23-12-19(25-20)16-8-6-15(11-22)7-9-16/h3-10,12-14H,1-2H3,(H,24,26)
InChIKeyRYIJDTIIDWSMQI-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.05
Rot. Bonds5

About 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide

6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 52947194) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID52947194
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2cncc(-c3ccc(C#N)cc3)n2)c1
InChIInChI=1S/C21H18N4O2/c1-14(2)27-18-5-3-4-17(10-18)24-21(26)20-13-23-12-19(25-20)16-8-6-15(11-22)7-9-16/h3-10,12-14H,1-2H3,(H,24,26)
InChIKeyRYIJDTIIDWSMQI-UHFFFAOYSA-N
XLogP4.05
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethoxyphenyl)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 52947201
N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 52945969
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
2-N-(4-cyanophenyl)-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100676
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112850714
6-N-(3-cyanophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094562

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 52947194) is 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide is CC(C)Oc1cccc(NC(=O)c2cncc(-c3ccc(C#N)cc3)n2)c1.
What is the InChIKey of 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is RYIJDTIIDWSMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(2)27-18-5-3-4-17(10-18)24-21(26)20-13-23-12-19(25-20)16-8-6-15(11-22)7-9-16/h3-10,12-14H,1-2H3,(H,24,26).
What are the key properties of 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 52947194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).