2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine

C18H24N2O2 — CID 167162307

IUPAC2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine
SMILESCOc1ccc(C(C)CCOc2cncc(C(C)C)c2)cn1
InChIInChI=1S/C18H24N2O2/c1-13(2)16-9-17(12-19-10-16)22-8-7-14(3)15-5-6-18(21-4)20-11-15/h5-6,9-14H,7-8H2,1-4H3
InChIKeyKZRZFPLFLXOVCM-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.18
Rot. Bonds7

About 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine

2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine (PubChem CID 167162307) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine
PubChem CID167162307
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine
SMILESCOc1ccc(C(C)CCOc2cncc(C(C)C)c2)cn1
InChIInChI=1S/C18H24N2O2/c1-13(2)16-9-17(12-19-10-16)22-8-7-14(3)15-5-6-18(21-4)20-11-15/h5-6,9-14H,7-8H2,1-4H3
InChIKeyKZRZFPLFLXOVCM-UHFFFAOYSA-N
XLogP4.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine?
The IUPAC name of 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine (CID 167162307) is 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine is COc1ccc(C(C)CCOc2cncc(C(C)C)c2)cn1.
What is the InChIKey of 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine?
The InChIKey is KZRZFPLFLXOVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)16-9-17(12-19-10-16)22-8-7-14(3)15-5-6-18(21-4)20-11-15/h5-6,9-14H,7-8H2,1-4H3.
What are the key properties of 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine?
2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine has a molecular weight of 300.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-yl]pyridine is sourced from PubChem (CID 167162307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).