4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C14H14N2O3 — CID 54676926

IUPAC4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C14H14N2O3/c1-15-13(18)10-12(17)9-6-2-4-8-5-3-7-16(11(8)9)14(10)19/h2,4,6,17H,3,5,7H2,1H3,(H,15,18)
InChIKeyMEKHLDSDOLTVFE-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.01
Rot. Bonds1

About 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54676926) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54676926
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C14H14N2O3/c1-15-13(18)10-12(17)9-6-2-4-8-5-3-7-16(11(8)9)14(10)19/h2,4,6,17H,3,5,7H2,1H3,(H,15,18)
InChIKeyMEKHLDSDOLTVFE-UHFFFAOYSA-N
XLogP1.01
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54676926) is 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is CNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3.
What is the InChIKey of 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is MEKHLDSDOLTVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-15-13(18)10-12(17)9-6-2-4-8-5-3-7-16(11(8)9)14(10)19/h2,4,6,17H,3,5,7H2,1H3,(H,15,18).
What are the key properties of 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54676926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).