9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C21H23N3 — CID 67545588

IUPAC9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCc1ccc(CCn2c3c(c4ccccc42)N2CCC3CC2)cn1
InChIInChI=1S/C21H23N3/c1-15-6-7-16(14-22-15)8-13-24-19-5-3-2-4-18(19)21-20(24)17-9-11-23(21)12-10-17/h2-7,14,17H,8-13H2,1H3
InChIKeyRUPNOACMPIJZDY-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.28
Rot. Bonds3

About 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 67545588) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID67545588
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCc1ccc(CCn2c3c(c4ccccc42)N2CCC3CC2)cn1
InChIInChI=1S/C21H23N3/c1-15-6-7-16(14-22-15)8-13-24-19-5-3-2-4-18(19)21-20(24)17-9-11-23(21)12-10-17/h2-7,14,17H,8-13H2,1H3
InChIKeyRUPNOACMPIJZDY-UHFFFAOYSA-N
XLogP4.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 67545588) is 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is Cc1ccc(CCn2c3c(c4ccccc42)N2CCC3CC2)cn1.
What is the InChIKey of 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is RUPNOACMPIJZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-6-7-16(14-22-15)8-13-24-19-5-3-2-4-18(19)21-20(24)17-9-11-23(21)12-10-17/h2-7,14,17H,8-13H2,1H3.
What are the key properties of 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 317.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(6-methyl-3-pyridinyl)ethyl]-1,9-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 67545588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).