ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate

C15H19N3O3 — CID 175944362

IUPACethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)nc1)C1C=NC=CN1
InChIInChI=1S/C15H19N3O3/c1-3-21-15(19)12(13-10-16-6-7-17-13)8-11-4-5-14(20-2)18-9-11/h4-7,9-10,12-13,17H,3,8H2,1-2H3
InChIKeyYNPRDBKRDBJWQL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.33
Rot. Bonds6

About ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate

ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate (PubChem CID 175944362) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate
PubChem CID175944362
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)nc1)C1C=NC=CN1
InChIInChI=1S/C15H19N3O3/c1-3-21-15(19)12(13-10-16-6-7-17-13)8-11-4-5-14(20-2)18-9-11/h4-7,9-10,12-13,17H,3,8H2,1-2H3
InChIKeyYNPRDBKRDBJWQL-UHFFFAOYSA-N
XLogP1.33
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate?
The IUPAC name of ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate (CID 175944362) is ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate?
The canonical SMILES for ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate is CCOC(=O)C(Cc1ccc(OC)nc1)C1C=NC=CN1.
What is the InChIKey of ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate?
The InChIKey is YNPRDBKRDBJWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-21-15(19)12(13-10-16-6-7-17-13)8-11-4-5-14(20-2)18-9-11/h4-7,9-10,12-13,17H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate?
ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate has a molecular weight of 289.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2-dihydropyrazin-2-yl)-3-(6-methoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 175944362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).