7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C21H20FN3O3 — CID 150370253

IUPAC7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCCc4cccnc4)c(=O)n1c23
InChIInChI=1S/C21H20FN3O3/c1-12-4-5-14-9-15(22)10-16-18(14)25(12)21(28)17(19(16)26)20(27)24-8-6-13-3-2-7-23-11-13/h2-3,7,9-12,26H,4-6,8H2,1H3,(H,24,27)
InChIKeyGXOQQRMUHYNEDF-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.72
Rot. Bonds4

About 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 150370253) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID150370253
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCCc4cccnc4)c(=O)n1c23
InChIInChI=1S/C21H20FN3O3/c1-12-4-5-14-9-15(22)10-16-18(14)25(12)21(28)17(19(16)26)20(27)24-8-6-13-3-2-7-23-11-13/h2-3,7,9-12,26H,4-6,8H2,1H3,(H,24,27)
InChIKeyGXOQQRMUHYNEDF-UHFFFAOYSA-N
XLogP2.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 150370253) is 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is CC1CCc2cc(F)cc3c(O)c(C(=O)NCCc4cccnc4)c(=O)n1c23.
What is the InChIKey of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is GXOQQRMUHYNEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-12-4-5-14-9-15(22)10-16-18(14)25(12)21(28)17(19(16)26)20(27)24-8-6-13-3-2-7-23-11-13/h2-3,7,9-12,26H,4-6,8H2,1H3,(H,24,27).
What are the key properties of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 150370253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).