2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine

C25H39N3O4 — CID 22412891

IUPAC2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine
SMILESCCCCOCCCCOc1ccc(-c2cnc(OCCCCOCCCC)cn2)cn1
InChIInChI=1S/C25H39N3O4/c1-3-5-13-29-15-7-9-17-31-24-12-11-22(19-27-24)23-20-28-25(21-26-23)32-18-10-8-16-30-14-6-4-2/h11-12,19-21H,3-10,13-18H2,1-2H3
InChIKeyMCWXFEVFRUWFJR-UHFFFAOYSA-N
MW445.60 g/mol
LogP5.49
Rot. Bonds19

About 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine

2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine (PubChem CID 22412891) has the molecular formula C25H39N3O4 and a molecular weight of 445.60 g/mol. Its IUPAC name is 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine.

Molecular Properties

Compound Name2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine
PubChem CID22412891
Molecular FormulaC25H39N3O4
Molecular Weight445.60 g/mol
Exact Mass445.29
IUPAC Name2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine
SMILESCCCCOCCCCOc1ccc(-c2cnc(OCCCCOCCCC)cn2)cn1
InChIInChI=1S/C25H39N3O4/c1-3-5-13-29-15-7-9-17-31-24-12-11-22(19-27-24)23-20-28-25(21-26-23)32-18-10-8-16-30-14-6-4-2/h11-12,19-21H,3-10,13-18H2,1-2H3
InChIKeyMCWXFEVFRUWFJR-UHFFFAOYSA-N
XLogP5.49
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.60
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-heptoxy-5-(4-heptoxyphenyl)pyrazine
CID 19103384
[5-(6-butoxy-3-pyridinyl)pyrazin-2-yl]hydrazine
CID 162702786
2-(6-octoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)pyrazine
CID 22412778
4-(5-butoxypyrazin-2-yl)benzonitrile
CID 71330453
2-decoxy-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 139625408
5-(4-ethylphenyl)-2-pentoxypyridine
CID 138716515
3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine
CID 22412684
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
6-(2-butoxyethoxy)pyridin-3-amine
CID 3031377
[5-(4-hexoxyphenyl)pyrazin-2-yl] (4-octoxyphenyl) carbonate
CID 70426320
2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 19859377
[4-[5-(5-octoxypyrazin-2-yl)-2-pyridinyl]phenyl] (2R,3R)-3-propyloxirane-2-carboxylate
CID 22860528

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine?
The IUPAC name of 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine (CID 22412891) is 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine.
What is the SMILES notation for 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine?
The canonical SMILES for 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine is CCCCOCCCCOc1ccc(-c2cnc(OCCCCOCCCC)cn2)cn1.
What is the InChIKey of 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine?
The InChIKey is MCWXFEVFRUWFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4/c1-3-5-13-29-15-7-9-17-31-24-12-11-22(19-27-24)23-20-28-25(21-26-23)32-18-10-8-16-30-14-6-4-2/h11-12,19-21H,3-10,13-18H2,1-2H3.
What are the key properties of 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine?
2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine has a molecular weight of 445.60 g/mol, XLogP of 5.49, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine is sourced from PubChem (CID 22412891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).