4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine

C22H32N2O2 — CID 130223617

IUPAC4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine
SMILESCc1cc(OCC(C)CC(C)(C)c2ccc(OCC(C)C)nc2)ccn1
InChIInChI=1S/C22H32N2O2/c1-16(2)14-26-21-8-7-19(13-24-21)22(5,6)12-17(3)15-25-20-9-10-23-18(4)11-20/h7-11,13,16-17H,12,14-15H2,1-6H3
InChIKeyWMFIPCKNSSTKJA-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.20
Rot. Bonds9

About 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine

4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine (PubChem CID 130223617) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine.

Molecular Properties

Compound Name4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine
PubChem CID130223617
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine
SMILESCc1cc(OCC(C)CC(C)(C)c2ccc(OCC(C)C)nc2)ccn1
InChIInChI=1S/C22H32N2O2/c1-16(2)14-26-21-8-7-19(13-24-21)22(5,6)12-17(3)15-25-20-9-10-23-18(4)11-20/h7-11,13,16-17H,12,14-15H2,1-6H3
InChIKeyWMFIPCKNSSTKJA-UHFFFAOYSA-N
XLogP5.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine?
The IUPAC name of 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine (CID 130223617) is 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine.
What is the SMILES notation for 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine?
The canonical SMILES for 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine is Cc1cc(OCC(C)CC(C)(C)c2ccc(OCC(C)C)nc2)ccn1.
What is the InChIKey of 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine?
The InChIKey is WMFIPCKNSSTKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-16(2)14-26-21-8-7-19(13-24-21)22(5,6)12-17(3)15-25-20-9-10-23-18(4)11-20/h7-11,13,16-17H,12,14-15H2,1-6H3.
What are the key properties of 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine?
4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine has a molecular weight of 356.51 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine is sourced from PubChem (CID 130223617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).