10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene

C21H19N3O — CID 11209683

IUPAC10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
SMILESCC1(C)CCc2c(c3ccccc3c3[nH]c(-c4ccccn4)nc23)O1
InChIInChI=1S/C21H19N3O/c1-21(2)11-10-15-18-17(13-7-3-4-8-14(13)19(15)25-21)23-20(24-18)16-9-5-6-12-22-16/h3-9,12H,10-11H2,1-2H3,(H,23,24)
InChIKeyRACMRVAVWDEJOQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.88
Rot. Bonds1

About 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene

10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene (PubChem CID 11209683) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene.

Molecular Properties

Compound Name10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
PubChem CID11209683
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
SMILESCC1(C)CCc2c(c3ccccc3c3[nH]c(-c4ccccn4)nc23)O1
InChIInChI=1S/C21H19N3O/c1-21(2)11-10-15-18-17(13-7-3-4-8-14(13)19(15)25-21)23-20(24-18)16-9-5-6-12-22-16/h3-9,12H,10-11H2,1-2H3,(H,23,24)
InChIKeyRACMRVAVWDEJOQ-UHFFFAOYSA-N
XLogP4.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
The IUPAC name of 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene (CID 11209683) is 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene.
What is the SMILES notation for 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
The canonical SMILES for 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene is CC1(C)CCc2c(c3ccccc3c3[nH]c(-c4ccccn4)nc23)O1.
What is the InChIKey of 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
The InChIKey is RACMRVAVWDEJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-21(2)11-10-15-18-17(13-7-3-4-8-14(13)19(15)25-21)23-20(24-18)16-9-5-6-12-22-16/h3-9,12H,10-11H2,1-2H3,(H,23,24).
What are the key properties of 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene has a molecular weight of 329.40 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene is sourced from PubChem (CID 11209683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).