6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

C20H23N5O3 — CID 3162249

IUPAC6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCC1CCCO1
InChIInChI=1S/C20H23N5O3/c1-3-21-17-14(19(26)22-10-13-5-4-8-28-13)9-15-18(24-17)23-16-7-6-12(2)11-25(16)20(15)27/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyFMDLUHIGHRWGMK-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.89
Rot. Bonds5

About 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (PubChem CID 3162249) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
PubChem CID3162249
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCC1CCCO1
InChIInChI=1S/C20H23N5O3/c1-3-21-17-14(19(26)22-10-13-5-4-8-28-13)9-15-18(24-17)23-16-7-6-12(2)11-25(16)20(15)27/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyFMDLUHIGHRWGMK-UHFFFAOYSA-N
XLogP1.89
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The IUPAC name of 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (CID 3162249) is 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.
What is the SMILES notation for 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The canonical SMILES for 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCC1CCCO1.
What is the InChIKey of 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The InChIKey is FMDLUHIGHRWGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-21-17-14(19(26)22-10-13-5-4-8-28-13)9-15-18(24-17)23-16-7-6-12(2)11-25(16)20(15)27/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is sourced from PubChem (CID 3162249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).