2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine

C29H26N2O2 — CID 102258546

IUPAC2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine
SMILESc1ccc(CO[C@H]2c3ccccc3[C@@H]3C[C@H]2c2ccccc2[C@@H]3OCc2ccccn2)nc1
InChIInChI=1S/C29H26N2O2/c1-3-13-24-22(11-1)26-17-27(28(24)32-18-20-9-5-7-15-30-20)23-12-2-4-14-25(23)29(26)33-19-21-10-6-8-16-31-21/h1-16,26-29H,17-19H2/t26-,27-,28-,29-/m0/s1
InChIKeyKRMCSJVNFQENEB-DZUOILHNSA-N
MW434.54 g/mol
LogP6.28
Rot. Bonds6

About 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine

2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine (PubChem CID 102258546) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine
PubChem CID102258546
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine
SMILESc1ccc(CO[C@H]2c3ccccc3[C@@H]3C[C@H]2c2ccccc2[C@@H]3OCc2ccccn2)nc1
InChIInChI=1S/C29H26N2O2/c1-3-13-24-22(11-1)26-17-27(28(24)32-18-20-9-5-7-15-30-20)23-12-2-4-14-25(23)29(26)33-19-21-10-6-8-16-31-21/h1-16,26-29H,17-19H2/t26-,27-,28-,29-/m0/s1
InChIKeyKRMCSJVNFQENEB-DZUOILHNSA-N
XLogP6.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine with MolForge

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Related Compounds

2-[(3-ethylcyclobutyl)oxymethyl]pyridine
CID 170582773
pyridin-2-ylmethyl hypoiodite
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CID 134434529
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131647834
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol
CID 150698152
[(2R,3S,4S,5S)-5-methoxy-3,4-bis(pyridin-2-ylmethoxy)oxolan-2-yl]methanol
CID 90773161
ethane;2-ethylpyridine
CID 91102000
2-ethylpyridine;sulfane
CID 67363352
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine?
The IUPAC name of 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine (CID 102258546) is 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine?
The canonical SMILES for 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine is c1ccc(CO[C@H]2c3ccccc3[C@@H]3C[C@H]2c2ccccc2[C@@H]3OCc2ccccn2)nc1.
What is the InChIKey of 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine?
The InChIKey is KRMCSJVNFQENEB-DZUOILHNSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-3-13-24-22(11-1)26-17-27(28(24)32-18-20-9-5-7-15-30-20)23-12-2-4-14-25(23)29(26)33-19-21-10-6-8-16-31-21/h1-16,26-29H,17-19H2/t26-,27-,28-,29-/m0/s1.
What are the key properties of 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine?
2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine has a molecular weight of 434.54 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,8R,9S,16R)-16-(pyridin-2-ylmethoxy)-8-tetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl]oxymethyl]pyridine is sourced from PubChem (CID 102258546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).