14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C21H24N4 — CID 71007600

IUPAC14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2cccnc2)CCN2CCCC12
InChIInChI=1S/C21H24N4/c1-15-12-17-20-18-5-3-9-24(18)10-7-19(20)25(21(17)23-13-15)11-6-16-4-2-8-22-14-16/h2,4,8,12-14,18H,3,5-7,9-11H2,1H3
InChIKeyPCDOEAKXDBJSDW-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.68
Rot. Bonds3

About 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 71007600) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID71007600
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2cccnc2)CCN2CCCC12
InChIInChI=1S/C21H24N4/c1-15-12-17-20-18-5-3-9-24(18)10-7-19(20)25(21(17)23-13-15)11-6-16-4-2-8-22-14-16/h2,4,8,12-14,18H,3,5-7,9-11H2,1H3
InChIKeyPCDOEAKXDBJSDW-UHFFFAOYSA-N
XLogP3.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The IUPAC name of 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 71007600) is 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.
What is the SMILES notation for 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The canonical SMILES for 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is Cc1cnc2c(c1)c1c(n2CCc2cccnc2)CCN2CCCC12.
What is the InChIKey of 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is PCDOEAKXDBJSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-12-17-20-18-5-3-9-24(18)10-7-19(20)25(21(17)23-13-15)11-6-16-4-2-8-22-14-16/h2,4,8,12-14,18H,3,5-7,9-11H2,1H3.
What are the key properties of 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 332.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 71007600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).