2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine

C24H27N3O3 — CID 25124333

IUPAC2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine
SMILESCOc1ccnc(C2CC(c3cc(OC)ccn3)CC(c3cc(OC)ccn3)C2)c1
InChIInChI=1S/C24H27N3O3/c1-28-19-4-7-25-22(13-19)16-10-17(23-14-20(29-2)5-8-26-23)12-18(11-16)24-15-21(30-3)6-9-27-24/h4-9,13-18H,10-12H2,1-3H3
InChIKeyQASZFGISKYQIAB-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.73
Rot. Bonds6

About 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine

2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine (PubChem CID 25124333) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine.

Molecular Properties

Compound Name2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine
PubChem CID25124333
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine
SMILESCOc1ccnc(C2CC(c3cc(OC)ccn3)CC(c3cc(OC)ccn3)C2)c1
InChIInChI=1S/C24H27N3O3/c1-28-19-4-7-25-22(13-19)16-10-17(23-14-20(29-2)5-8-26-23)12-18(11-16)24-15-21(30-3)6-9-27-24/h4-9,13-18H,10-12H2,1-3H3
InChIKeyQASZFGISKYQIAB-UHFFFAOYSA-N
XLogP4.73
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine?
The IUPAC name of 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine (CID 25124333) is 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine.
What is the SMILES notation for 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine?
The canonical SMILES for 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine is COc1ccnc(C2CC(c3cc(OC)ccn3)CC(c3cc(OC)ccn3)C2)c1.
What is the InChIKey of 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine?
The InChIKey is QASZFGISKYQIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-28-19-4-7-25-22(13-19)16-10-17(23-14-20(29-2)5-8-26-23)12-18(11-16)24-15-21(30-3)6-9-27-24/h4-9,13-18H,10-12H2,1-3H3.
What are the key properties of 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine?
2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine has a molecular weight of 405.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine is sourced from PubChem (CID 25124333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).