(6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide

C16H20FN3O3 — CID 75529080

IUPAC(6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
SMILESCC(C)NC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1
InChIInChI=1S/C16H20FN3O3/c1-10(2)18-15(21)19-6-5-13-9-23-16(22)20(13)14-7-12(17)4-3-11(14)8-19/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyYIQBEVYKGTYVDJ-ZDUSSCGKSA-N
MW321.35 g/mol
LogP2.47
Rot. Bonds1

About (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide

(6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide (PubChem CID 75529080) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide.

Molecular Properties

Compound Name(6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
PubChem CID75529080
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name(6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
SMILESCC(C)NC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1
InChIInChI=1S/C16H20FN3O3/c1-10(2)18-15(21)19-6-5-13-9-23-16(22)20(13)14-7-12(17)4-3-11(14)8-19/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyYIQBEVYKGTYVDJ-ZDUSSCGKSA-N
XLogP2.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
The IUPAC name of (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide (CID 75529080) is (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide.
What is the SMILES notation for (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
The canonical SMILES for (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide is CC(C)NC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1.
What is the InChIKey of (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
The InChIKey is YIQBEVYKGTYVDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-10(2)18-15(21)19-6-5-13-9-23-16(22)20(13)14-7-12(17)4-3-11(14)8-19/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
(6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-14-fluoro-3-oxo-N-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide is sourced from PubChem (CID 75529080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).