N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide

C21H19FN4O3 — CID 55962909

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C21H19FN4O3/c22-15-3-6-17(7-4-15)29-19-8-5-16(14-24-19)25-21(27)18-2-1-9-23-20(18)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,25,27)
InChIKeyPWPIKMYKVMWINJ-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.50
Rot. Bonds5

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 55962909) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID55962909
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C21H19FN4O3/c22-15-3-6-17(7-4-15)29-19-8-5-16(14-24-19)25-21(27)18-2-1-9-23-20(18)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,25,27)
InChIKeyPWPIKMYKVMWINJ-UHFFFAOYSA-N
XLogP3.50
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 55962909) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccnc1N1CCOCC1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is PWPIKMYKVMWINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-15-3-6-17(7-4-15)29-19-8-5-16(14-24-19)25-21(27)18-2-1-9-23-20(18)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,25,27).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 55962909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).