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

C17H22N4O2 — CID 16746095

IUPACN-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
SMILESCOCCNC(=O)C1CC2Cn3c(nc4ccccc43)C2N1C
InChIInChI=1S/C17H22N4O2/c1-20-14(17(22)18-7-8-23-2)9-11-10-21-13-6-4-3-5-12(13)19-16(21)15(11)20/h3-6,11,14-15H,7-10H2,1-2H3,(H,18,22)
InChIKeyGYPSXBRFVYNVTE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.17
Rot. Bonds4

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

N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide (PubChem CID 16746095) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
PubChem CID16746095
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
SMILESCOCCNC(=O)C1CC2Cn3c(nc4ccccc43)C2N1C
InChIInChI=1S/C17H22N4O2/c1-20-14(17(22)18-7-8-23-2)9-11-10-21-13-6-4-3-5-12(13)19-16(21)15(11)20/h3-6,11,14-15H,7-10H2,1-2H3,(H,18,22)
InChIKeyGYPSXBRFVYNVTE-UHFFFAOYSA-N
XLogP1.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
N-(2-methoxyethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 126458585
phenyl (2S,4S)-4-hydroxy-2-(2-methoxyethylcarbamoyl)pyrrolidine-1-carboxylate
CID 126010367
N-[(2S)-1-(2-methoxyethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 7711615
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93015049
(2S,4S)-4-(benzylamino)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45222870
N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 136677555
(2S,4S,5R)-5-(3-chlorophenyl)-4-(2-methoxyethylcarbamoyl)-1-methylpyrrolidine-2-carboxylic acid
CID 56758143

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
The IUPAC name of 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) is N-(2-methoxyethyl)-11-methyl-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 N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide is COCCNC(=O)C1CC2Cn3c(nc4ccccc43)C2N1C.
What is the InChIKey of N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
The InChIKey is GYPSXBRFVYNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-14(17(22)18-7-8-23-2)9-11-10-21-13-6-4-3-5-12(13)19-16(21)15(11)20/h3-6,11,14-15H,7-10H2,1-2H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide is sourced from PubChem (CID 16746095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).