3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile

C19H16N4O2 — CID 164912205

IUPAC3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile
SMILESCOc1cc(Nc2ncc(-c3ccccc3)nc2C#N)cc(OC)c1
InChIInChI=1S/C19H16N4O2/c1-24-15-8-14(9-16(10-15)25-2)22-19-17(11-20)23-18(12-21-19)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,22)
InChIKeyHJKGQPWLGDCRLT-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.78
Rot. Bonds5

About 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile

3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile (PubChem CID 164912205) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile
PubChem CID164912205
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile
SMILESCOc1cc(Nc2ncc(-c3ccccc3)nc2C#N)cc(OC)c1
InChIInChI=1S/C19H16N4O2/c1-24-15-8-14(9-16(10-15)25-2)22-19-17(11-20)23-18(12-21-19)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,22)
InChIKeyHJKGQPWLGDCRLT-UHFFFAOYSA-N
XLogP3.78
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2h
CID 5329421
Pyrazine-Pyridine Biheteroaryl 15
CID 5330360
4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}phenol
CID 11595532
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzonitrile
CID 11624721
Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CID 11682654
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140
1-Phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)urea
CID 24879141
N2-(pyridin-4-yl)-N6-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
CID 24879390
[4-(6-Piperazin-1-yl-pyridin-3-yl)-pyrimidin-2-yl]-(3,4,5-trimethoxy-phenyl)-amine
CID 9888491

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile?
The IUPAC name of 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile (CID 164912205) is 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile?
The canonical SMILES for 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile is COc1cc(Nc2ncc(-c3ccccc3)nc2C#N)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile?
The InChIKey is HJKGQPWLGDCRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-15-8-14(9-16(10-15)25-2)22-19-17(11-20)23-18(12-21-19)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,22).
What are the key properties of 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile?
3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile has a molecular weight of 332.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyanilino)-6-phenylpyrazine-2-carbonitrile is sourced from PubChem (CID 164912205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).