1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide

C17H20N4O — CID 54547215

IUPAC1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide
SMILESCC12CN(C(N)=O)CCN1c1ccccc1Cn1cccc12
InChIInChI=1S/C17H20N4O/c1-17-12-20(16(18)22)9-10-21(17)14-6-3-2-5-13(14)11-19-8-4-7-15(17)19/h2-8H,9-12H2,1H3,(H2,18,22)
InChIKeyZHJBULUHUIRBRS-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.97
Rot. Bonds

About 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide

1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide (PubChem CID 54547215) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide.

Molecular Properties

Compound Name1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide
PubChem CID54547215
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide
SMILESCC12CN(C(N)=O)CCN1c1ccccc1Cn1cccc12
InChIInChI=1S/C17H20N4O/c1-17-12-20(16(18)22)9-10-21(17)14-6-3-2-5-13(14)11-19-8-4-7-15(17)19/h2-8H,9-12H2,1H3,(H2,18,22)
InChIKeyZHJBULUHUIRBRS-UHFFFAOYSA-N
XLogP1.97
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide?
The IUPAC name of 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide (CID 54547215) is 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide.
What is the SMILES notation for 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide?
The canonical SMILES for 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide is CC12CN(C(N)=O)CCN1c1ccccc1Cn1cccc12.
What is the InChIKey of 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide?
The InChIKey is ZHJBULUHUIRBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-17-12-20(16(18)22)9-10-21(17)14-6-3-2-5-13(14)11-19-8-4-7-15(17)19/h2-8H,9-12H2,1H3,(H2,18,22).
What are the key properties of 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide?
1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide is sourced from PubChem (CID 54547215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).