2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine

C24H27N3 — CID 25124332

IUPAC2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine
SMILESCc1ccnc(C2CC(c3cc(C)ccn3)CC(c3cc(C)ccn3)C2)c1
InChIInChI=1S/C24H27N3/c1-16-4-7-25-22(10-16)19-13-20(23-11-17(2)5-8-26-23)15-21(14-19)24-12-18(3)6-9-27-24/h4-12,19-21H,13-15H2,1-3H3
InChIKeyUWJJZLLSACQDNB-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.63
Rot. Bonds3

About 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine

2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine (PubChem CID 25124332) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine.

Molecular Properties

Compound Name2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine
PubChem CID25124332
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine
SMILESCc1ccnc(C2CC(c3cc(C)ccn3)CC(c3cc(C)ccn3)C2)c1
InChIInChI=1S/C24H27N3/c1-16-4-7-25-22(10-16)19-13-20(23-11-17(2)5-8-26-23)15-21(14-19)24-12-18(3)6-9-27-24/h4-12,19-21H,13-15H2,1-3H3
InChIKeyUWJJZLLSACQDNB-UHFFFAOYSA-N
XLogP5.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine?
The IUPAC name of 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine (CID 25124332) is 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine.
What is the SMILES notation for 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine?
The canonical SMILES for 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine is Cc1ccnc(C2CC(c3cc(C)ccn3)CC(c3cc(C)ccn3)C2)c1.
What is the InChIKey of 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine?
The InChIKey is UWJJZLLSACQDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-16-4-7-25-22(10-16)19-13-20(23-11-17(2)5-8-26-23)15-21(14-19)24-12-18(3)6-9-27-24/h4-12,19-21H,13-15H2,1-3H3.
What are the key properties of 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine?
2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine has a molecular weight of 357.50 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine is sourced from PubChem (CID 25124332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).