3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile

C19H13N5O — CID 133284166

IUPAC3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1Nc1nccnc1C#N
InChIInChI=1S/C19H13N5O/c1-13-10-16(25-15-4-2-14(11-20)3-5-15)6-7-17(13)24-19-18(12-21)22-8-9-23-19/h2-10H,1H3,(H,23,24)
InChIKeyVDJXCYKTAHFDRR-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.06
Rot. Bonds4

About 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile

3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile (PubChem CID 133284166) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile
PubChem CID133284166
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1Nc1nccnc1C#N
InChIInChI=1S/C19H13N5O/c1-13-10-16(25-15-4-2-14(11-20)3-5-15)6-7-17(13)24-19-18(12-21)22-8-9-23-19/h2-10H,1H3,(H,23,24)
InChIKeyVDJXCYKTAHFDRR-UHFFFAOYSA-N
XLogP4.06
TPSA94.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549
3-(2-chloro-5-methylanilino)pyrazine-2-carbonitrile
CID 107635174
3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile
CID 62684183
4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile
CID 113368098
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
3-(4-hydrazinyl-3-methylphenoxy)benzonitrile
CID 118138183
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861
N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60578153
1-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(3-imidazol-1-ylpropyl)urea
CID 94652276
3-(4-acetamidophenyl)-N-[4-(4-cyanophenoxy)-2-methylphenyl]prop-2-enamide
CID 76869742
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile (CID 133284166) is 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile is Cc1cc(Oc2ccc(C#N)cc2)ccc1Nc1nccnc1C#N.
What is the InChIKey of 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile?
The InChIKey is VDJXCYKTAHFDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c1-13-10-16(25-15-4-2-14(11-20)3-5-15)6-7-17(13)24-19-18(12-21)22-8-9-23-19/h2-10H,1H3,(H,23,24).
What are the key properties of 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile?
3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile has a molecular weight of 327.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyanophenoxy)-2-methylanilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).