N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide

C16H16FN3O2 — CID 84573960

IUPACN-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C16H16FN3O2/c17-12-4-1-2-5-13(12)19-16(21)14-6-3-7-15(18-14)20-8-10-22-11-9-20/h1-7H,8-11H2,(H,19,21)
InChIKeyAKHWJCSVAPARSG-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.31
Rot. Bonds3

About N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide

N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 84573960) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide
PubChem CID84573960
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C16H16FN3O2/c17-12-4-1-2-5-13(12)19-16(21)14-6-3-7-15(18-14)20-8-10-22-11-9-20/h1-7H,8-11H2,(H,19,21)
InChIKeyAKHWJCSVAPARSG-UHFFFAOYSA-N
XLogP2.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide (CID 84573960) is N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide is O=C(Nc1ccccc1F)c1cccc(N2CCOCC2)n1.
What is the InChIKey of N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is AKHWJCSVAPARSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-4-1-2-5-13(12)19-16(21)14-6-3-7-15(18-14)20-8-10-22-11-9-20/h1-7H,8-11H2,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide?
N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 84573960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).