5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene

C22H23N3 — CID 67238839

IUPAC5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene
SMILESCc1ccc(C=Cc2cccc3c4c([nH]c23)C2CCN(CC2)C4)cn1
InChIInChI=1S/C22H23N3/c1-15-5-6-16(13-23-15)7-8-17-3-2-4-19-20-14-25-11-9-18(10-12-25)22(20)24-21(17)19/h2-8,13,18,24H,9-12,14H2,1H3
InChIKeyDKODVFSNFVFHFK-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.73
Rot. Bonds2

About 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene

5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene (PubChem CID 67238839) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene
PubChem CID67238839
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene
SMILESCc1ccc(C=Cc2cccc3c4c([nH]c23)C2CCN(CC2)C4)cn1
InChIInChI=1S/C22H23N3/c1-15-5-6-16(13-23-15)7-8-17-3-2-4-19-20-14-25-11-9-18(10-12-25)22(20)24-21(17)19/h2-8,13,18,24H,9-12,14H2,1H3
InChIKeyDKODVFSNFVFHFK-UHFFFAOYSA-N
XLogP4.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene?
The IUPAC name of 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene (CID 67238839) is 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene.
What is the SMILES notation for 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene?
The canonical SMILES for 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene is Cc1ccc(C=Cc2cccc3c4c([nH]c23)C2CCN(CC2)C4)cn1.
What is the InChIKey of 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene?
The InChIKey is DKODVFSNFVFHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-15-5-6-16(13-23-15)7-8-17-3-2-4-19-20-14-25-11-9-18(10-12-25)22(20)24-21(17)19/h2-8,13,18,24H,9-12,14H2,1H3.
What are the key properties of 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene?
5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene has a molecular weight of 329.45 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-methyl-3-pyridinyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 67238839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).