ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid

C18H29N3O3 — CID 163271094

IUPACethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid
SMILESCC.CC.CC.CCOc1cncc(-c2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C12H11N3O3.3C2H6/c1-2-18-11-7-13-6-10(15-11)8-3-4-9(12(16)17)14-5-8;3*1-2/h3-7H,2H2,1H3,(H,16,17);3*1-2H3
InChIKeyDCSCMLWZLHVYQO-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.71
Rot. Bonds4

About ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid

ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid (PubChem CID 163271094) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid
PubChem CID163271094
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nameethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid
SMILESCC.CC.CC.CCOc1cncc(-c2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C12H11N3O3.3C2H6/c1-2-18-11-7-13-6-10(15-11)8-3-4-9(12(16)17)14-5-8;3*1-2/h3-7H,2H2,1H3,(H,16,17);3*1-2H3
InChIKeyDCSCMLWZLHVYQO-UHFFFAOYSA-N
XLogP4.71
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid (CID 163271094) is ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid is CC.CC.CC.CCOc1cncc(-c2ccc(C(=O)O)nc2)n1.
What is the InChIKey of ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid?
The InChIKey is DCSCMLWZLHVYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3.3C2H6/c1-2-18-11-7-13-6-10(15-11)8-3-4-9(12(16)17)14-5-8;3*1-2/h3-7H,2H2,1H3,(H,16,17);3*1-2H3.
What are the key properties of ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid?
ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid has a molecular weight of 335.45 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 163271094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).