ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate

C21H25N7O4 — CID 157396281

IUPACethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C)cnc1N.CCOC(=O)c1nc(C)cnc1Nc1cccnc1
InChIInChI=1S/C13H14N4O2.C8H11N3O2/c1-3-19-13(18)11-12(15-7-9(2)16-11)17-10-5-4-6-14-8-10;1-3-13-8(12)6-7(9)10-4-5(2)11-6/h4-8H,3H2,1-2H3,(H,15,17);4H,3H2,1-2H3,(H2,9,10)
InChIKeyBMPKOWFFAOMQID-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.64
Rot. Bonds6

About ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate

ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate (PubChem CID 157396281) has the molecular formula C21H25N7O4 and a molecular weight of 439.48 g/mol. Its IUPAC name is ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate
PubChem CID157396281
Molecular FormulaC21H25N7O4
Molecular Weight439.48 g/mol
Exact Mass439.20
IUPAC Nameethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C)cnc1N.CCOC(=O)c1nc(C)cnc1Nc1cccnc1
InChIInChI=1S/C13H14N4O2.C8H11N3O2/c1-3-19-13(18)11-12(15-7-9(2)16-11)17-10-5-4-6-14-8-10;1-3-13-8(12)6-7(9)10-4-5(2)11-6/h4-8H,3H2,1-2H3,(H,15,17);4H,3H2,1-2H3,(H2,9,10)
InChIKeyBMPKOWFFAOMQID-UHFFFAOYSA-N
XLogP2.64
TPSA155.10 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2587214
Pyrazinic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester
CID 23774933
methyl 5-[(2R)-4-(6-anilino-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 67177523
3-Amino-6-(6-morpholinopyridin-3-yl)-n-phenylpyrazine-2-carboxamide
CID 59471930
ethyl 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxylate
CID 42647388
[4-Amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl quinoxaline-2-carboxylate
CID 9327552
Ethyl 3-(3-morpholin-4-ylanilino)quinoxaline-2-carboxylate
CID 145953112
3-[(6-Morpholin-4-yl-3-pyridinyl)amino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 162667680
3-[(5-Morpholin-4-yl-2-pyridinyl)amino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 162674714
Ethyl 3-(cyclohexylamino)quinoxaline-2-carboxylate
CID 50765005
Ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate
CID 2331572
Methyl 3-anilinopyrazine-2-carboxylate
CID 13370930

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate (CID 157396281) is ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate is CCOC(=O)c1nc(C)cnc1N.CCOC(=O)c1nc(C)cnc1Nc1cccnc1.
What is the InChIKey of ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
The InChIKey is BMPKOWFFAOMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2.C8H11N3O2/c1-3-19-13(18)11-12(15-7-9(2)16-11)17-10-5-4-6-14-8-10;1-3-13-8(12)6-7(9)10-4-5(2)11-6/h4-8H,3H2,1-2H3,(H,15,17);4H,3H2,1-2H3,(H2,9,10).
What are the key properties of ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate has a molecular weight of 439.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 157396281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).