2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine

C16H18N2O — CID 167102230

IUPAC2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine
SMILESCOc1cnc(C2CC2)cc1-c1cc(C)ncc1C
InChIInChI=1S/C16H18N2O/c1-10-8-17-11(2)6-13(10)14-7-15(12-4-5-12)18-9-16(14)19-3/h6-9,12H,4-5H2,1-3H3
InChIKeyXZJVNVGMZDREIK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.65
Rot. Bonds3

About 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine

2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine (PubChem CID 167102230) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine
PubChem CID167102230
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine
SMILESCOc1cnc(C2CC2)cc1-c1cc(C)ncc1C
InChIInChI=1S/C16H18N2O/c1-10-8-17-11(2)6-13(10)14-7-15(12-4-5-12)18-9-16(14)19-3/h6-9,12H,4-5H2,1-3H3
InChIKeyXZJVNVGMZDREIK-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine?
The IUPAC name of 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine (CID 167102230) is 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine.
What is the SMILES notation for 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine?
The canonical SMILES for 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine is COc1cnc(C2CC2)cc1-c1cc(C)ncc1C.
What is the InChIKey of 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine?
The InChIKey is XZJVNVGMZDREIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-8-17-11(2)6-13(10)14-7-15(12-4-5-12)18-9-16(14)19-3/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine?
2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine has a molecular weight of 254.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine is sourced from PubChem (CID 167102230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).