2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine

C20H29N3O3 — CID 10361116

IUPAC2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine
SMILESCCc1nc(-c2ccc(OC)nc2OC)c(CC)nc1OC(CC)CC
InChIInChI=1S/C20H29N3O3/c1-7-13(8-2)26-20-16(10-4)21-18(15(9-3)22-20)14-11-12-17(24-5)23-19(14)25-6/h11-13H,7-10H2,1-6H3
InChIKeyOPBTUDOZMQTRML-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.25
Rot. Bonds9

About 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine

2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine (PubChem CID 10361116) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine.

Molecular Properties

Compound Name2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine
PubChem CID10361116
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine
SMILESCCc1nc(-c2ccc(OC)nc2OC)c(CC)nc1OC(CC)CC
InChIInChI=1S/C20H29N3O3/c1-7-13(8-2)26-20-16(10-4)21-18(15(9-3)22-20)14-11-12-17(24-5)23-19(14)25-6/h11-13H,7-10H2,1-6H3
InChIKeyOPBTUDOZMQTRML-UHFFFAOYSA-N
XLogP4.25
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine?
The IUPAC name of 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine (CID 10361116) is 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine.
What is the SMILES notation for 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine?
The canonical SMILES for 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine is CCc1nc(-c2ccc(OC)nc2OC)c(CC)nc1OC(CC)CC.
What is the InChIKey of 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine?
The InChIKey is OPBTUDOZMQTRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-7-13(8-2)26-20-16(10-4)21-18(15(9-3)22-20)14-11-12-17(24-5)23-19(14)25-6/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine?
2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine has a molecular weight of 359.47 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine is sourced from PubChem (CID 10361116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).