4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide

C23H19FN4O3 — CID 155175530

IUPAC4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(Oc3ccccc3F)ccn2)C2CC2c2cccnc21
InChIInChI=1S/C23H19FN4O3/c1-28-21-14(5-4-9-26-21)15-12-16(15)20(23(28)30)27-22(29)18-11-13(8-10-25-18)31-19-7-3-2-6-17(19)24/h2-11,15-16,20H,12H2,1H3,(H,27,29)
InChIKeyMSDXAABDMCXHGO-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.29
Rot. Bonds4

About 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide

4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide (PubChem CID 155175530) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide
PubChem CID155175530
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(Oc3ccccc3F)ccn2)C2CC2c2cccnc21
InChIInChI=1S/C23H19FN4O3/c1-28-21-14(5-4-9-26-21)15-12-16(15)20(23(28)30)27-22(29)18-11-13(8-10-25-18)31-19-7-3-2-6-17(19)24/h2-11,15-16,20H,12H2,1H3,(H,27,29)
InChIKeyMSDXAABDMCXHGO-UHFFFAOYSA-N
XLogP3.29
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide (CID 155175530) is 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide is CN1C(=O)C(NC(=O)c2cc(Oc3ccccc3F)ccn2)C2CC2c2cccnc21.
What is the InChIKey of 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide?
The InChIKey is MSDXAABDMCXHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-28-21-14(5-4-9-26-21)15-12-16(15)20(23(28)30)27-22(29)18-11-13(8-10-25-18)31-19-7-3-2-6-17(19)24/h2-11,15-16,20H,12H2,1H3,(H,27,29).
What are the key properties of 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide?
4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-(7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155175530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).