N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide

C12H14FN3O3 — CID 136537121

IUPACN-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCO1
InChIInChI=1S/C12H14FN3O3/c1-8-7-16(4-5-19-8)12(18)11(17)15-10-3-2-9(13)6-14-10/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,17)
InChIKeySGULGIVXEYMSFA-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.41
Rot. Bonds1

About N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide

N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide (PubChem CID 136537121) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide
PubChem CID136537121
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCO1
InChIInChI=1S/C12H14FN3O3/c1-8-7-16(4-5-19-8)12(18)11(17)15-10-3-2-9(13)6-14-10/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,17)
InChIKeySGULGIVXEYMSFA-UHFFFAOYSA-N
XLogP0.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide (CID 136537121) is N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide is CC1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCO1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide?
The InChIKey is SGULGIVXEYMSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-8-7-16(4-5-19-8)12(18)11(17)15-10-3-2-9(13)6-14-10/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,17).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide?
N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide has a molecular weight of 267.26 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 136537121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).