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

C13H14N4O2 — CID 67151989

IUPACethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C)cnc1Nc1cccnc1
InChIInChI=1S/C13H14N4O2/c1-3-19-13(18)11-12(15-7-9(2)16-11)17-10-5-4-6-14-8-10/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyJFSNIBKDPQZGDS-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.10
Rot. Bonds4

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

ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate (PubChem CID 67151989) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate
PubChem CID67151989
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Nameethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C)cnc1Nc1cccnc1
InChIInChI=1S/C13H14N4O2/c1-3-19-13(18)11-12(15-7-9(2)16-11)17-10-5-4-6-14-8-10/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyJFSNIBKDPQZGDS-UHFFFAOYSA-N
XLogP2.10
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-fluoro-2-pyridinyl)-6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
CID 11996474
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614
ethyl 1-anilinoisoquinoline-4-carboxylate
CID 46358338
ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
ethyl 4-[(2-pyridin-3-ylpyrimidin-4-yl)amino]benzoate
CID 90353161
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
ethyl N-[(pyridin-3-ylamino)methylsulfonyl]carbamate
CID 166523111
ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 90510175

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate (CID 67151989) is ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate is CCOC(=O)c1nc(C)cnc1Nc1cccnc1.
What is the InChIKey of ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
The InChIKey is JFSNIBKDPQZGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-19-13(18)11-12(15-7-9(2)16-11)17-10-5-4-6-14-8-10/h4-8H,3H2,1-2H3,(H,15,17).
What are the key properties of ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 67151989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).