N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide

C13H13N3O2 — CID 10944628

IUPACN-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide
SMILESCNC(=O)c1[nH]c2cccc3c2c1CCNC3=O
InChIInChI=1S/C13H13N3O2/c1-14-13(18)11-7-5-6-15-12(17)8-3-2-4-9(16-11)10(7)8/h2-4,16H,5-6H2,1H3,(H,14,18)(H,15,17)
InChIKeyOUPIWCNVMBULGK-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.81
Rot. Bonds1

About N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide

N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide (PubChem CID 10944628) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide
PubChem CID10944628
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide
SMILESCNC(=O)c1[nH]c2cccc3c2c1CCNC3=O
InChIInChI=1S/C13H13N3O2/c1-14-13(18)11-7-5-6-15-12(17)8-3-2-4-9(16-11)10(7)8/h2-4,16H,5-6H2,1H3,(H,14,18)(H,15,17)
InChIKeyOUPIWCNVMBULGK-UHFFFAOYSA-N
XLogP0.81
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
The IUPAC name of N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide (CID 10944628) is N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide.
What is the SMILES notation for N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
The canonical SMILES for N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide is CNC(=O)c1[nH]c2cccc3c2c1CCNC3=O.
What is the InChIKey of N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
The InChIKey is OUPIWCNVMBULGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-14-13(18)11-7-5-6-15-12(17)8-3-2-4-9(16-11)10(7)8/h2-4,16H,5-6H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide?
N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxamide is sourced from PubChem (CID 10944628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).