4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C19H18N2 — CID 51360669

IUPAC4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cccnc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C19H18N2/c1-21-8-6-15-16(14-3-2-7-20-11-14)10-17-12-4-5-13(9-12)18(17)19(15)21/h2-3,6-8,10-13H,4-5,9H2,1H3
InChIKeyGPINYHYPWIQZBX-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.61
Rot. Bonds1

About 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360669) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360669
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cccnc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C19H18N2/c1-21-8-6-15-16(14-3-2-7-20-11-14)10-17-12-4-5-13(9-12)18(17)19(15)21/h2-3,6-8,10-13H,4-5,9H2,1H3
InChIKeyGPINYHYPWIQZBX-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360669) is 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(-c3cccnc3)cc3c(c21)C1CCC3C1.
What is the InChIKey of 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is GPINYHYPWIQZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-21-8-6-15-16(14-3-2-7-20-11-14)10-17-12-4-5-13(9-12)18(17)19(15)21/h2-3,6-8,10-13H,4-5,9H2,1H3.
What are the key properties of 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 274.37 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-pyridin-3-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).