2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione

C24H30N2O2 — CID 76533427

IUPAC2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione
SMILESCC12CCC3C(CCN4C(=O)CC(=O)CCC34C)C1CC=C2c1cccnc1
InChIInChI=1S/C24H30N2O2/c1-23-10-8-21-18(20(23)6-5-19(23)16-4-3-12-25-15-16)9-13-26-22(28)14-17(27)7-11-24(21,26)2/h3-5,12,15,18,20-21H,6-11,13-14H2,1-2H3
InChIKeyVRYVSGFZZNNTLY-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.26
Rot. Bonds1

About 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione

2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione (PubChem CID 76533427) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione.

Molecular Properties

Compound Name2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione
PubChem CID76533427
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione
SMILESCC12CCC3C(CCN4C(=O)CC(=O)CCC34C)C1CC=C2c1cccnc1
InChIInChI=1S/C24H30N2O2/c1-23-10-8-21-18(20(23)6-5-19(23)16-4-3-12-25-15-16)9-13-26-22(28)14-17(27)7-11-24(21,26)2/h3-5,12,15,18,20-21H,6-11,13-14H2,1-2H3
InChIKeyVRYVSGFZZNNTLY-UHFFFAOYSA-N
XLogP4.26
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione with MolForge

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Related Compounds

(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
(8R,9R,10R,13S,14S)-7,10,13-trimethyl-17-pyridin-3-yl-1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
CID 67225696
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
(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
(3aS,3bS,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-1-pyridin-3-yl-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]quinolin-7-one
CID 46205920
(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
(3aS,9aR,9bS,11aS)-9a,11a-dimethyl-1-pyridin-3-yl-3,3a,3b,4,6,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
CID 46205268
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
(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-(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
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

Frequently Asked Questions

What is the IUPAC name of 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione?
The IUPAC name of 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione (CID 76533427) is 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione.
What is the SMILES notation for 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione?
The canonical SMILES for 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione is CC12CCC3C(CCN4C(=O)CC(=O)CCC34C)C1CC=C2c1cccnc1.
What is the InChIKey of 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione?
The InChIKey is VRYVSGFZZNNTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-23-10-8-21-18(20(23)6-5-19(23)16-4-3-12-25-15-16)9-13-26-22(28)14-17(27)7-11-24(21,26)2/h3-5,12,15,18,20-21H,6-11,13-14H2,1-2H3.
What are the key properties of 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione?
2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione has a molecular weight of 378.52 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione is sourced from PubChem (CID 76533427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).