3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine

C24H33NO — CID 57387680

IUPAC3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine
SMILESC[C@]12CCC3[C@@H](CC[C@H]4CCOCC[C@]34C)[C@@H]1CC=C2c1cccnc1
InChIInChI=1S/C24H33NO/c1-23-12-15-26-14-10-18(23)5-6-19-21-8-7-20(17-4-3-13-25-16-17)24(21,2)11-9-22(19)23/h3-4,7,13,16,18-19,21-22H,5-6,8-12,14-15H2,1-2H3/t18-,19-,21-,22?,23-,24+/m0/s1
InChIKeyFEJGFCIJNGQGJB-XDEBCFSRSA-N
MW351.53 g/mol
LogP5.74
Rot. Bonds1

About 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine

3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine (PubChem CID 57387680) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine.

Molecular Properties

Compound Name3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine
PubChem CID57387680
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine
SMILESC[C@]12CCC3[C@@H](CC[C@H]4CCOCC[C@]34C)[C@@H]1CC=C2c1cccnc1
InChIInChI=1S/C24H33NO/c1-23-12-15-26-14-10-18(23)5-6-19-21-8-7-20(17-4-3-13-25-16-17)24(21,2)11-9-22(19)23/h3-4,7,13,16,18-19,21-22H,5-6,8-12,14-15H2,1-2H3/t18-,19-,21-,22?,23-,24+/m0/s1
InChIKeyFEJGFCIJNGQGJB-XDEBCFSRSA-N
XLogP5.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-(2,16-dimethyl-15-tetracyclo[9.7.0.02,8.012,16]octadec-14-enyl)pyridine
CID 76533728
3-[(3S,10S,13S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridine
CID 122644566
(10S,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 146157849
(3S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 57385658
3a,5a-dimethyl-6-pyridin-3-yl-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol
CID 77405718
(3aR,3bS,5aS,8aS,8bS)-1,3a,5a-trimethyl-6-pyridin-3-yl-3,3b,4,5,8,8a,8b,9,10,10a-decahydro-2H-indeno[5,4-e]indole
CID 53311671
3-[(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-2-nitroso-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]pyridine
CID 123159977
9a,11a-dimethyl-1-pyridin-3-yl-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]chromen-7-one
CID 76732019
N-(10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylacetamide
CID 76533146
2,4,10,13-tetramethyl-17-pyridin-3-yl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
CID 77405341
(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine
CID 160960261
3-(6,10,13-trimethylspiro[1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl)pyridine
CID 77405728

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine?
The IUPAC name of 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine (CID 57387680) is 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine.
What is the SMILES notation for 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine?
The canonical SMILES for 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine is C[C@]12CCC3[C@@H](CC[C@H]4CCOCC[C@]34C)[C@@H]1CC=C2c1cccnc1.
What is the InChIKey of 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine?
The InChIKey is FEJGFCIJNGQGJB-XDEBCFSRSA-N. The full InChI is InChI=1S/C24H33NO/c1-23-12-15-26-14-10-18(23)5-6-19-21-8-7-20(17-4-3-13-25-16-17)24(21,2)11-9-22(19)23/h3-4,7,13,16,18-19,21-22H,5-6,8-12,14-15H2,1-2H3/t18-,19-,21-,22?,23-,24+/m0/s1.
What are the key properties of 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine?
3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine has a molecular weight of 351.53 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine is sourced from PubChem (CID 57387680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).