N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

C17H19N5O2 — CID 3165168

IUPACN,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC
InChIInChI=1S/C17H19N5O2/c1-4-7-19-14-11(16(23)18-3)8-12-15(21-14)20-13-6-5-10(2)9-22(13)17(12)24/h5-6,8-9H,4,7H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyIQUJZDXQRGMRHK-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.73
Rot. Bonds4

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

N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (PubChem CID 3165168) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.

Molecular Properties

Compound NameN,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
PubChem CID3165168
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC
InChIInChI=1S/C17H19N5O2/c1-4-7-19-14-11(16(23)18-3)8-12-15(21-14)20-13-6-5-10(2)9-22(13)17(12)24/h5-6,8-9H,4,7H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyIQUJZDXQRGMRHK-UHFFFAOYSA-N
XLogP1.73
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The IUPAC name of N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (CID 3165168) is N,13-dimethyl-2-oxo-6-(propylamino)-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 N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The canonical SMILES for N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is CCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC.
What is the InChIKey of N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The InChIKey is IQUJZDXQRGMRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-7-19-14-11(16(23)18-3)8-12-15(21-14)20-13-6-5-10(2)9-22(13)17(12)24/h5-6,8-9H,4,7H2,1-3H3,(H,18,23)(H,19,21).
What are the key properties of N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is sourced from PubChem (CID 3165168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).