2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine

C26H29N3O — CID 102067199

IUPAC2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(-c3cccc(O[C@@H]4C[C@@H]5CC[C@@]4(C)C5(C)C)n3)n2)n1
InChIInChI=1S/C26H29N3O/c1-17-8-5-9-19(27-17)20-10-6-11-21(28-20)22-12-7-13-24(29-22)30-23-16-18-14-15-26(23,4)25(18,2)3/h5-13,18,23H,14-16H2,1-4H3/t18-,23+,26+/m0/s1
InChIKeyWNIKXVCUWQRUPZ-YPAAYVHUSA-N
MW399.54 g/mol
LogP6.11
Rot. Bonds4

About 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine

2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine (PubChem CID 102067199) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine
PubChem CID102067199
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(-c3cccc(O[C@@H]4C[C@@H]5CC[C@@]4(C)C5(C)C)n3)n2)n1
InChIInChI=1S/C26H29N3O/c1-17-8-5-9-19(27-17)20-10-6-11-21(28-20)22-12-7-13-24(29-22)30-23-16-18-14-15-26(23,4)25(18,2)3/h5-13,18,23H,14-16H2,1-4H3/t18-,23+,26+/m0/s1
InChIKeyWNIKXVCUWQRUPZ-YPAAYVHUSA-N
XLogP6.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine (CID 102067199) is 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine is Cc1cccc(-c2cccc(-c3cccc(O[C@@H]4C[C@@H]5CC[C@@]4(C)C5(C)C)n3)n2)n1.
What is the InChIKey of 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine?
The InChIKey is WNIKXVCUWQRUPZ-YPAAYVHUSA-N. The full InChI is InChI=1S/C26H29N3O/c1-17-8-5-9-19(27-17)20-10-6-11-21(28-20)22-12-7-13-24(29-22)30-23-16-18-14-15-26(23,4)25(18,2)3/h5-13,18,23H,14-16H2,1-4H3/t18-,23+,26+/m0/s1.
What are the key properties of 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine?
2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine has a molecular weight of 399.54 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 102067199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).