[5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol

C22H32N2O — CID 22004998

IUPAC[5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccnc1
InChIInChI=1S/C22H32N2O/c1-6-7-8-11-18-20(17-10-9-12-23-13-17)19(14-25)22(16(4)5)24-21(18)15(2)3/h9-10,12-13,15-16,25H,6-8,11,14H2,1-5H3
InChIKeyLEFNLMOZNMENTF-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.62
Rot. Bonds8

About [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol

[5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol (PubChem CID 22004998) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol
PubChem CID22004998
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name[5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccnc1
InChIInChI=1S/C22H32N2O/c1-6-7-8-11-18-20(17-10-9-12-23-13-17)19(14-25)22(16(4)5)24-21(18)15(2)3/h9-10,12-13,15-16,25H,6-8,11,14H2,1-5H3
InChIKeyLEFNLMOZNMENTF-UHFFFAOYSA-N
XLogP5.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol with MolForge

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Related Compounds

[4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005048
[4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 101176924
4-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]butan-1-ol
CID 22005370
[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 54328042
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005324
3-(1-dodecyl-2,3-dipyridin-3-ylpyren-4-yl)pyridine
CID 87695237
[4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol
CID 22005376
[5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22004914
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451
[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol
CID 20647521
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
3-(5-pentyl-1H-imidazol-2-yl)pyridine
CID 69088600

Frequently Asked Questions

What is the IUPAC name of [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol?
The IUPAC name of [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol (CID 22004998) is [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol.
What is the SMILES notation for [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol?
The canonical SMILES for [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccnc1.
What is the InChIKey of [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol?
The InChIKey is LEFNLMOZNMENTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-6-7-8-11-18-20(17-10-9-12-23-13-17)19(14-25)22(16(4)5)24-21(18)15(2)3/h9-10,12-13,15-16,25H,6-8,11,14H2,1-5H3.
What are the key properties of [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol?
[5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol has a molecular weight of 340.51 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol is sourced from PubChem (CID 22004998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).