11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide

C17H20N4O — CID 16746096

IUPAC11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
SMILESC=CCNC(=O)C1CC2Cn3c(nc4ccccc43)C2N1C
InChIInChI=1S/C17H20N4O/c1-3-8-18-17(22)14-9-11-10-21-13-7-5-4-6-12(13)19-16(21)15(11)20(14)2/h3-7,11,14-15H,1,8-10H2,2H3,(H,18,22)
InChIKeyFRRADMUJMLHDED-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.71
Rot. Bonds3

About 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide

11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide (PubChem CID 16746096) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide.

Molecular Properties

Compound Name11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
PubChem CID16746096
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
SMILESC=CCNC(=O)C1CC2Cn3c(nc4ccccc43)C2N1C
InChIInChI=1S/C17H20N4O/c1-3-8-18-17(22)14-9-11-10-21-13-7-5-4-6-12(13)19-16(21)15(11)20(14)2/h3-7,11,14-15H,1,8-10H2,2H3,(H,18,22)
InChIKeyFRRADMUJMLHDED-UHFFFAOYSA-N
XLogP1.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
CID 16746095
7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide
CID 16746077
11-benzyl-N-[2-(4-methoxyphenyl)ethyl]-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
CID 23641190
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706
2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine
CID 136700060
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
5-oxo-1-(2-propan-2-yloxyphenyl)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113188240
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 110406517
2-[2-(1-methyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17002346

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
The IUPAC name of 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide (CID 16746096) is 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide.
What is the SMILES notation for 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
The canonical SMILES for 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide is C=CCNC(=O)C1CC2Cn3c(nc4ccccc43)C2N1C.
What is the InChIKey of 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
The InChIKey is FRRADMUJMLHDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-8-18-17(22)14-9-11-10-21-13-7-5-4-6-12(13)19-16(21)15(11)20(14)2/h3-7,11,14-15H,1,8-10H2,2H3,(H,18,22).
What are the key properties of 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-prop-2-enyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide is sourced from PubChem (CID 16746096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).