(2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one

C26H34N2O — CID 57386693

IUPAC(2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one
SMILESC=Cc1cncc(C2=CC[C@H]3[C@@H]4CCN5C(=O)CCCC[C@]5(C)C4CC[C@]23C)c1
InChIInChI=1S/C26H34N2O/c1-4-18-15-19(17-27-16-18)21-8-9-22-20-11-14-28-24(29)7-5-6-12-26(28,3)23(20)10-13-25(21,22)2/h4,8,15-17,20,22-23H,1,5-7,9-14H2,2-3H3/t20-,22-,23?,25+,26+/m0/s1
InChIKeyMUEQTQMBHCWRML-PEVAOPQMSA-N
MW390.57 g/mol
LogP5.73
Rot. Bonds2

About (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one

(2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one (PubChem CID 57386693) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one.

Molecular Properties

Compound Name(2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one
PubChem CID57386693
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name(2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one
SMILESC=Cc1cncc(C2=CC[C@H]3[C@@H]4CCN5C(=O)CCCC[C@]5(C)C4CC[C@]23C)c1
InChIInChI=1S/C26H34N2O/c1-4-18-15-19(17-27-16-18)21-8-9-22-20-11-14-28-24(29)7-5-6-12-26(28,3)23(20)10-13-25(21,22)2/h4,8,15-17,20,22-23H,1,5-7,9-14H2,2-3H3/t20-,22-,23?,25+,26+/m0/s1
InChIKeyMUEQTQMBHCWRML-PEVAOPQMSA-N
XLogP5.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one 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

(2R,11S,12S,16S)-2,16-dimethyl-15-(5-propoxy-3-pyridinyl)-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one
CID 57386691
(2R,11S,12S,16S)-2,16-dimethyl-15-(5-methyl-3-pyridinyl)-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene;(2R,11S,12S,16S)-2,16-dimethyl-15-(5-propoxy-3-pyridinyl)-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one;(2R,11S,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene;(2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one
CID 159303789
2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione
CID 76533427
(2R,10S,11S,15S)-14-(4-chloro-3-pyridinyl)-2,15-dimethyl-6-azatetracyclo[8.7.0.02,6.011,15]heptadec-13-en-7-one
CID 53312258
(2R,11S,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene
CID 57386694
(3aS,3bS,9aR,9bS,11aS)-1-(5-methoxy-3-pyridinyl)-9a,11a-dimethyl-3,3a,3b,4,5,8,9,9b,10,11-decahydrocyclopenta[i]phenanthridin-7-one
CID 46203343
1,3a,5a-trimethyl-6-(5-methyl-3-pyridinyl)-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one
CID 77405470
(1S,2S,8S,11R,12S,16S)-15-(5-ethoxy-3-pyridinyl)-2,5,16-trimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 58356550
(3aS,3bS,10aR,10bS,12aS)-6,10a,12a-trimethyl-1-(5-methyl-3-pyridinyl)-3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[5,4-g][1]benzazepin-7-one;(3aS,3bS,10aR,10bS,12aS)-6,10a,12a-trimethyl-1-pyridin-3-yl-3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[5,4-g][1]benzazepin-7-one;(3aS,3bS,10aR,10bS,12aS)-1-(5-methoxy-3-pyridinyl)-6,10a,12a-trimethyl-3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[5,4-g][1]benzazepin-7-one
CID 159880389
(3aR,3bS,5aS,8aS,8bS)-6-(5-ethoxy-3-pyridinyl)-1,3a,5a-trimethyl-3,3b,4,5,8,8a,8b,9-octahydroindeno[5,4-e]indol-2-one
CID 134132595
10a,12a-dimethyl-1-(5-methyl-3-pyridinyl)-3a,3b,4,5,8,9,10,10b,11,12-decahydro-3H-indeno[4,5-i][3]benzazepin-7-one
CID 77405375
3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine
CID 77405721

Frequently Asked Questions

What is the IUPAC name of (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one?
The IUPAC name of (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one (CID 57386693) is (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one.
What is the SMILES notation for (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one?
The canonical SMILES for (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one is C=Cc1cncc(C2=CC[C@H]3[C@@H]4CCN5C(=O)CCCC[C@]5(C)C4CC[C@]23C)c1.
What is the InChIKey of (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one?
The InChIKey is MUEQTQMBHCWRML-PEVAOPQMSA-N. The full InChI is InChI=1S/C26H34N2O/c1-4-18-15-19(17-27-16-18)21-8-9-22-20-11-14-28-24(29)7-5-6-12-26(28,3)23(20)10-13-25(21,22)2/h4,8,15-17,20,22-23H,1,5-7,9-14H2,2-3H3/t20-,22-,23?,25+,26+/m0/s1.
What are the key properties of (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one?
(2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one has a molecular weight of 390.57 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,11S,12S,16S)-15-(5-ethenyl-3-pyridinyl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one is sourced from PubChem (CID 57386693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).