5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C23H25N3 — CID 58449949

IUPAC5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESC/C(=C\n1c2c(c3cc(C)ccc31)C1CCC2N(C)C1)c1ccncc1
InChIInChI=1S/C23H25N3/c1-15-4-6-20-19(12-15)22-18-5-7-21(25(3)14-18)23(22)26(20)13-16(2)17-8-10-24-11-9-17/h4,6,8-13,18,21H,5,7,14H2,1-3H3/b16-13+
InChIKeySONVFOQXWCRURJ-DTQAZKPQSA-N
MW343.47 g/mol
LogP5.23
Rot. Bonds2

About 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 58449949) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID58449949
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESC/C(=C\n1c2c(c3cc(C)ccc31)C1CCC2N(C)C1)c1ccncc1
InChIInChI=1S/C23H25N3/c1-15-4-6-20-19(12-15)22-18-5-7-21(25(3)14-18)23(22)26(20)13-16(2)17-8-10-24-11-9-17/h4,6,8-13,18,21H,5,7,14H2,1-3H3/b16-13+
InChIKeySONVFOQXWCRURJ-DTQAZKPQSA-N
XLogP5.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 58449949) is 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is C/C(=C\n1c2c(c3cc(C)ccc31)C1CCC2N(C)C1)c1ccncc1.
What is the InChIKey of 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is SONVFOQXWCRURJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H25N3/c1-15-4-6-20-19(12-15)22-18-5-7-21(25(3)14-18)23(22)26(20)13-16(2)17-8-10-24-11-9-17/h4,6,8-13,18,21H,5,7,14H2,1-3H3/b16-13+.
What are the key properties of 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 343.47 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethyl-9-[(E)-2-pyridin-4-ylprop-1-enyl]-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 58449949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).