methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate

C14H12N4O2 — CID 66456266

IUPACmethyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)c2ccc(C#N)cc2)n1
InChIInChI=1S/C14H12N4O2/c1-18(11-5-3-10(7-15)4-6-11)13-9-16-8-12(17-13)14(19)20-2/h3-6,8-9H,1-2H3
InChIKeyYYVRXXYQFVRIJT-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.90
Rot. Bonds3

About methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate

methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate (PubChem CID 66456266) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate
PubChem CID66456266
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Namemethyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)c2ccc(C#N)cc2)n1
InChIInChI=1S/C14H12N4O2/c1-18(11-5-3-10(7-15)4-6-11)13-9-16-8-12(17-13)14(19)20-2/h3-6,8-9H,1-2H3
InChIKeyYYVRXXYQFVRIJT-UHFFFAOYSA-N
XLogP1.90
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(4-carbamothioyl-N-methylanilino)pyrazine-2-carboxylate
CID 66455881
methyl 4-chloro-2-(4-cyano-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62982034
methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
CID 79858166
methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
CID 66456426
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064
N-(4-cyanophenyl)-N-methylpyrazine-2-carboxamide
CID 113242357
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]pyrazine-2-carboxylate
CID 126816380
methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
2-(4-cyano-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80568771
methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
CID 66458598

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate (CID 66456266) is methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate is COC(=O)c1cncc(N(C)c2ccc(C#N)cc2)n1.
What is the InChIKey of methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate?
The InChIKey is YYVRXXYQFVRIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-18(11-5-3-10(7-15)4-6-11)13-9-16-8-12(17-13)14(19)20-2/h3-6,8-9H,1-2H3.
What are the key properties of methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate?
methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 66456266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).