N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide

C13H7FN4O2 — CID 123643725

IUPACN-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide
SMILESO=C1CC(F)=CN=C1NC(=O)c1[nH]nc2c3cc-3cc12
InChIInChI=1S/C13H7FN4O2/c14-6-3-9(19)12(15-4-6)16-13(20)11-8-2-5-1-7(5)10(8)17-18-11/h1-2,4H,3H2,(H,17,18)(H,15,16,20)
InChIKeyDCSCSZVAMZGXOH-UHFFFAOYSA-N
MW270.22 g/mol
LogP1.46
Rot. Bonds1

About N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide

N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide (PubChem CID 123643725) has the molecular formula C13H7FN4O2 and a molecular weight of 270.22 g/mol. Its IUPAC name is N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide
PubChem CID123643725
Molecular FormulaC13H7FN4O2
Molecular Weight270.22 g/mol
Exact Mass270.06
IUPAC NameN-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide
SMILESO=C1CC(F)=CN=C1NC(=O)c1[nH]nc2c3cc-3cc12
InChIInChI=1S/C13H7FN4O2/c14-6-3-9(19)12(15-4-6)16-13(20)11-8-2-5-1-7(5)10(8)17-18-11/h1-2,4H,3H2,(H,17,18)(H,15,16,20)
InChIKeyDCSCSZVAMZGXOH-UHFFFAOYSA-N
XLogP1.46
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?
The IUPAC name of N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide (CID 123643725) is N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide.
What is the SMILES notation for N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?
The canonical SMILES for N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide is O=C1CC(F)=CN=C1NC(=O)c1[nH]nc2c3cc-3cc12.
What is the InChIKey of N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?
The InChIKey is DCSCSZVAMZGXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4O2/c14-6-3-9(19)12(15-4-6)16-13(20)11-8-2-5-1-7(5)10(8)17-18-11/h1-2,4H,3H2,(H,17,18)(H,15,16,20).
What are the key properties of N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide?
N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide has a molecular weight of 270.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-oxo-4H-pyridin-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2,4,6-tetraene-7-carboxamide is sourced from PubChem (CID 123643725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).