N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide

C17H22N4O — CID 53015717

IUPACN-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESC=CCN(C)C(=O)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C17H22N4O/c1-3-10-20(2)17(22)14-12-19-21-15-9-7-5-4-6-8-13(15)11-18-16(14)21/h3,11-12H,1,4-10H2,2H3
InChIKeyMHGRIXKPDLVBFS-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.65
Rot. Bonds3

About N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide

N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (PubChem CID 53015717) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
PubChem CID53015717
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESC=CCN(C)C(=O)c1cnn2c3c(cnc12)CCCCCC3
InChIInChI=1S/C17H22N4O/c1-3-10-20(2)17(22)14-12-19-21-15-9-7-5-4-6-8-13(15)11-18-16(14)21/h3,11-12H,1,4-10H2,2H3
InChIKeyMHGRIXKPDLVBFS-UHFFFAOYSA-N
XLogP2.65
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The IUPAC name of N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide (CID 53015717) is N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide.
What is the SMILES notation for N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The canonical SMILES for N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is C=CCN(C)C(=O)c1cnn2c3c(cnc12)CCCCCC3.
What is the InChIKey of N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
The InChIKey is MHGRIXKPDLVBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-10-20(2)17(22)14-12-19-21-15-9-7-5-4-6-8-13(15)11-18-16(14)21/h3,11-12H,1,4-10H2,2H3.
What are the key properties of N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide?
N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 53015717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).