methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate

C19H17N3O3 — CID 170459078

IUPACmethyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OCc3ccccc3)cc2)cnc1N
InChIInChI=1S/C19H17N3O3/c1-24-19(23)17-18(20)21-11-16(22-17)14-7-9-15(10-8-14)25-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H2,20,21)
InChIKeyIVNABOJMUORTIV-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.09
Rot. Bonds5

About methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate

methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate (PubChem CID 170459078) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
PubChem CID170459078
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namemethyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OCc3ccccc3)cc2)cnc1N
InChIInChI=1S/C19H17N3O3/c1-24-19(23)17-18(20)21-11-16(22-17)14-7-9-15(10-8-14)25-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H2,20,21)
InChIKeyIVNABOJMUORTIV-UHFFFAOYSA-N
XLogP3.09
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-6-[4-(hydroxymethyl)phenyl]pyrazine-2-carboxylate
CID 156816726
3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 155906636
methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate
CID 171524881
methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate
CID 58710604
methyl 3-amino-6-bromo-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 86663009
methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate
CID 68651564
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
CID 153387650
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
ethyl (2S)-2-[[3-benzyl-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]amino]-3-phenylpropanoate
CID 142461565
N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
CID 10402476

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate (CID 170459078) is methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2ccc(OCc3ccccc3)cc2)cnc1N.
What is the InChIKey of methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate?
The InChIKey is IVNABOJMUORTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-19(23)17-18(20)21-11-16(22-17)14-7-9-15(10-8-14)25-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H2,20,21).
What are the key properties of methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 170459078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).