2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide

C18H20FN3O3 — CID 69068524

IUPAC2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOC(COc3ccccc3F)C2)n1
InChIInChI=1S/C18H20FN3O3/c1-13-5-4-8-17(20-13)21-18(23)22-9-10-24-14(11-22)12-25-16-7-3-2-6-15(16)19/h2-8,14H,9-12H2,1H3,(H,20,21,23)
InChIKeyLGGBCHDTKMFERC-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.84
Rot. Bonds4

About 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide

2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide (PubChem CID 69068524) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
PubChem CID69068524
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOC(COc3ccccc3F)C2)n1
InChIInChI=1S/C18H20FN3O3/c1-13-5-4-8-17(20-13)21-18(23)22-9-10-24-14(11-22)12-25-16-7-3-2-6-15(16)19/h2-8,14H,9-12H2,1H3,(H,20,21,23)
InChIKeyLGGBCHDTKMFERC-UHFFFAOYSA-N
XLogP2.84
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide (CID 69068524) is 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide is Cc1cccc(NC(=O)N2CCOC(COc3ccccc3F)C2)n1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide?
The InChIKey is LGGBCHDTKMFERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-13-5-4-8-17(20-13)21-18(23)22-9-10-24-14(11-22)12-25-16-7-3-2-6-15(16)19/h2-8,14H,9-12H2,1H3,(H,20,21,23).
What are the key properties of 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide?
2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide is sourced from PubChem (CID 69068524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).