2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine

C27H28N4 — CID 71277471

IUPAC2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine
SMILESCCC(Cc1cccc(-c2cccc(C)n2)n1)Cc1cccc(-c2cccc(C)n2)n1
InChIInChI=1S/C27H28N4/c1-4-21(17-22-11-7-15-26(30-22)24-13-5-9-19(2)28-24)18-23-12-8-16-27(31-23)25-14-6-10-20(3)29-25/h5-16,21H,4,17-18H2,1-3H3
InChIKeyPEIXJMVGORGPCB-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.03
Rot. Bonds7

About 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine

2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine (PubChem CID 71277471) has the molecular formula C27H28N4 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine
PubChem CID71277471
Molecular FormulaC27H28N4
Molecular Weight408.55 g/mol
Exact Mass408.23
IUPAC Name2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine
SMILESCCC(Cc1cccc(-c2cccc(C)n2)n1)Cc1cccc(-c2cccc(C)n2)n1
InChIInChI=1S/C27H28N4/c1-4-21(17-22-11-7-15-26(30-22)24-13-5-9-19(2)28-24)18-23-12-8-16-27(31-23)25-14-6-10-20(3)29-25/h5-16,21H,4,17-18H2,1-3H3
InChIKeyPEIXJMVGORGPCB-UHFFFAOYSA-N
XLogP6.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine
CID 71277472
2-methyl-6-[6-[2-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 14148604
2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine
CID 71277482
1-(6-methyl-2-pyridinyl)butan-2-ol
CID 63200949
2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine
CID 130153092
2-methyl-6-[5-[2-[6-(6-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 101128259
ethane;2-ethyl-6-(6-ethyl-2-pyridinyl)pyridine
CID 164534151
bis(3,6-bis(6-methyl-2-pyridinyl)pyridazine);chloronickel
CID 87631405
3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper
CID 69390667
N-methyl-1-(6-methyl-2-pyridinyl)propan-2-amine
CID 16640577
ethane;3-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridazine
CID 143616936
2-amino-3-(6-methyl-2-pyridinyl)propan-1-ol;hydrochloride
CID 170891881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine (CID 71277471) is 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine is CCC(Cc1cccc(-c2cccc(C)n2)n1)Cc1cccc(-c2cccc(C)n2)n1.
What is the InChIKey of 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine?
The InChIKey is PEIXJMVGORGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4/c1-4-21(17-22-11-7-15-26(30-22)24-13-5-9-19(2)28-24)18-23-12-8-16-27(31-23)25-14-6-10-20(3)29-25/h5-16,21H,4,17-18H2,1-3H3.
What are the key properties of 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine?
2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine has a molecular weight of 408.55 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 71277471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).