6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide

C16H10FN5O — CID 122446273

IUPAC6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(n1)[nH]c1ccncc12)c1ccc(F)nc1
InChIInChI=1S/C16H10FN5O/c17-13-3-1-9(7-19-13)16(23)22-14-4-2-10-11-8-18-6-5-12(11)20-15(10)21-14/h1-8H,(H2,20,21,22,23)
InChIKeyWZEQFUCUKWGRSR-UHFFFAOYSA-N
MW307.29 g/mol
LogP2.90
Rot. Bonds2

About 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide

6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide (PubChem CID 122446273) has the molecular formula C16H10FN5O and a molecular weight of 307.29 g/mol. Its IUPAC name is 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide
PubChem CID122446273
Molecular FormulaC16H10FN5O
Molecular Weight307.29 g/mol
Exact Mass307.09
IUPAC Name6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(n1)[nH]c1ccncc12)c1ccc(F)nc1
InChIInChI=1S/C16H10FN5O/c17-13-3-1-9(7-19-13)16(23)22-14-4-2-10-11-8-18-6-5-12(11)20-15(10)21-14/h1-8H,(H2,20,21,22,23)
InChIKeyWZEQFUCUKWGRSR-UHFFFAOYSA-N
XLogP2.90
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide (CID 122446273) is 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide is O=C(Nc1ccc2c(n1)[nH]c1ccncc12)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?
The InChIKey is WZEQFUCUKWGRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O/c17-13-3-1-9(7-19-13)16(23)22-14-4-2-10-11-8-18-6-5-12(11)20-15(10)21-14/h1-8H,(H2,20,21,22,23).
What are the key properties of 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?
6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide has a molecular weight of 307.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide is sourced from PubChem (CID 122446273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).