methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate

C14H13N5O2 — CID 133284152

IUPACmethyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(Nc2nccnc2C#N)cc1
InChIInChI=1S/C14H13N5O2/c1-19(14(20)21-2)11-5-3-10(4-6-11)18-13-12(9-15)16-7-8-17-13/h3-8H,1-2H3,(H,17,18)
InChIKeySIWDRZJPAMRQIG-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.29
Rot. Bonds3

About methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate

methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate (PubChem CID 133284152) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate
PubChem CID133284152
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Namemethyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(Nc2nccnc2C#N)cc1
InChIInChI=1S/C14H13N5O2/c1-19(14(20)21-2)11-5-3-10(4-6-11)18-13-12(9-15)16-7-8-17-13/h3-8H,1-2H3,(H,17,18)
InChIKeySIWDRZJPAMRQIG-UHFFFAOYSA-N
XLogP2.29
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]-N-methylcarbamate
CID 133360147
3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile
CID 133283837
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
3-(4-butylanilino)pyrazine-2-carbonitrile
CID 60620244
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033
3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile
CID 133398030
methyl N-(4-acetylphenyl)-N-methylcarbamate
CID 132820157
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile
CID 83016253
3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile
CID 133284985
3-(thiophen-3-ylamino)pyrazine-2-carbonitrile
CID 66356465
3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile
CID 62683507

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate (CID 133284152) is methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate is COC(=O)N(C)c1ccc(Nc2nccnc2C#N)cc1.
What is the InChIKey of methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate?
The InChIKey is SIWDRZJPAMRQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-19(14(20)21-2)11-5-3-10(4-6-11)18-13-12(9-15)16-7-8-17-13/h3-8H,1-2H3,(H,17,18).
What are the key properties of methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate?
methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate has a molecular weight of 283.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 133284152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).