4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine

C22H32N2O5 — CID 69013905

IUPAC4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine
SMILESCOC(Cc1ccnc(OC(C)C)c1)OC(Cc1ccnc(OC(C)C)c1)OC
InChIInChI=1S/C22H32N2O5/c1-15(2)27-19-11-17(7-9-23-19)13-21(25-5)29-22(26-6)14-18-8-10-24-20(12-18)28-16(3)4/h7-12,15-16,21-22H,13-14H2,1-6H3
InChIKeyBJCMWCBMXDHSHX-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.80
Rot. Bonds12

About 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine

4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine (PubChem CID 69013905) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine
PubChem CID69013905
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine
SMILESCOC(Cc1ccnc(OC(C)C)c1)OC(Cc1ccnc(OC(C)C)c1)OC
InChIInChI=1S/C22H32N2O5/c1-15(2)27-19-11-17(7-9-23-19)13-21(25-5)29-22(26-6)14-18-8-10-24-20(12-18)28-16(3)4/h7-12,15-16,21-22H,13-14H2,1-6H3
InChIKeyBJCMWCBMXDHSHX-UHFFFAOYSA-N
XLogP3.80
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine with MolForge

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Related Compounds

N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide
CID 83884406
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754
N-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyridin-2-amine
CID 86805580
4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one
CID 168659174
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide
CID 99704294
[2-(1-phenylethoxy)-4-pyridinyl]methanol
CID 61256752
[2-(1-phenylethoxy)-4-pyridinyl]methanamine
CID 18071091
5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 86805588
2-(2-propan-2-yloxy-4-pyridinyl)propanoic acid
CID 83884295
2-(2-propan-2-yloxy-4-pyridinyl)-1,3-oxazole
CID 123773885
(2-methoxy-4-pyridinyl)methylazanium
CID 25323729

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine?
The IUPAC name of 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine (CID 69013905) is 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine.
What is the SMILES notation for 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine?
The canonical SMILES for 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine is COC(Cc1ccnc(OC(C)C)c1)OC(Cc1ccnc(OC(C)C)c1)OC.
What is the InChIKey of 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine?
The InChIKey is BJCMWCBMXDHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-15(2)27-19-11-17(7-9-23-19)13-21(25-5)29-22(26-6)14-18-8-10-24-20(12-18)28-16(3)4/h7-12,15-16,21-22H,13-14H2,1-6H3.
What are the key properties of 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine?
4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine has a molecular weight of 404.51 g/mol, XLogP of 3.80, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine is sourced from PubChem (CID 69013905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).