4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine

C20H30N2O2 — CID 177172347

IUPAC4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine
SMILESCC(C)Oc1ccncc1C(C)C.COc1ccncc1C(C)C
InChIInChI=1S/C11H17NO.C9H13NO/c1-8(2)10-7-12-6-5-11(10)13-9(3)4;1-7(2)8-6-10-5-4-9(8)11-3/h5-9H,1-4H3;4-7H,1-3H3
InChIKeyGSPFWGAWYUOPDU-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.21
Rot. Bonds5

About 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine

4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine (PubChem CID 177172347) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine
PubChem CID177172347
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine
SMILESCC(C)Oc1ccncc1C(C)C.COc1ccncc1C(C)C
InChIInChI=1S/C11H17NO.C9H13NO/c1-8(2)10-7-12-6-5-11(10)13-9(3)4;1-7(2)8-6-10-5-4-9(8)11-3/h5-9H,1-4H3;4-7H,1-3H3
InChIKeyGSPFWGAWYUOPDU-UHFFFAOYSA-N
XLogP5.21
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-propan-2-yloxypyridine
CID 167334924
3-propan-2-yl-4-(trifluoromethoxy)pyridine
CID 138513813
1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 130565658
2-(4-propan-2-yloxy-3-pyridinyl)propan-2-ol
CID 84666329
methyl 4-propan-2-yloxypyridine-3-carboxylate
CID 132587581
2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid
CID 83884297
methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium
CID 123423959
N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 114878306
1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine
CID 83890116
3-chloro-1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 171861827
(4-methoxy-3-pyridinyl)-(2-methylcyclopropyl)methanol
CID 130565651
4-ethyl-3-propan-2-yloxypyridine
CID 123491232

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine?
The IUPAC name of 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine (CID 177172347) is 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine.
What is the SMILES notation for 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine?
The canonical SMILES for 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine is CC(C)Oc1ccncc1C(C)C.COc1ccncc1C(C)C.
What is the InChIKey of 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine?
The InChIKey is GSPFWGAWYUOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C9H13NO/c1-8(2)10-7-12-6-5-11(10)13-9(3)4;1-7(2)8-6-10-5-4-9(8)11-3/h5-9H,1-4H3;4-7H,1-3H3.
What are the key properties of 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine?
4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine has a molecular weight of 330.47 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine is sourced from PubChem (CID 177172347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).