methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate

C14H14N4O3 — CID 66456378

IUPACmethyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C14H14N4O3/c1-9(19)16-10-3-5-11(6-4-10)17-13-8-15-7-12(18-13)14(20)21-2/h3-8H,1-2H3,(H,16,19)(H,17,18)
InChIKeyTTZOWJTUGJIKIW-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.97
Rot. Bonds4

About methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate

methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate (PubChem CID 66456378) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
PubChem CID66456378
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Namemethyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C14H14N4O3/c1-9(19)16-10-3-5-11(6-4-10)17-13-8-15-7-12(18-13)14(20)21-2/h3-8H,1-2H3,(H,16,19)(H,17,18)
InChIKeyTTZOWJTUGJIKIW-UHFFFAOYSA-N
XLogP1.97
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate
CID 66451733
methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate
CID 66451042
methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate
CID 66457941
methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
CID 71689112
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate
CID 66449466
methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
CID 66457948
methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
CID 66456161

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate (CID 66456378) is methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate is COC(=O)c1cncc(Nc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate?
The InChIKey is TTZOWJTUGJIKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9(19)16-10-3-5-11(6-4-10)17-13-8-15-7-12(18-13)14(20)21-2/h3-8H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate?
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 66456378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).