2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide

C12H14F3N3O3 — CID 47492552

IUPAC2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CCO1
InChIInChI=1S/C12H14F3N3O3/c1-7-6-18(2-3-21-7)11(20)17-9-4-8(12(13,14)15)5-16-10(9)19/h4-5,7H,2-3,6H2,1H3,(H,16,19)(H,17,20)
InChIKeyKIIIPRUJMOUSJF-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.65
Rot. Bonds1

About 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide

2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide (PubChem CID 47492552) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
PubChem CID47492552
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CCO1
InChIInChI=1S/C12H14F3N3O3/c1-7-6-18(2-3-21-7)11(20)17-9-4-8(12(13,14)15)5-16-10(9)19/h4-5,7H,2-3,6H2,1H3,(H,16,19)(H,17,20)
InChIKeyKIIIPRUJMOUSJF-UHFFFAOYSA-N
XLogP1.65
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide (CID 47492552) is 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CCO1.
What is the InChIKey of 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
The InChIKey is KIIIPRUJMOUSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-7-6-18(2-3-21-7)11(20)17-9-4-8(12(13,14)15)5-16-10(9)19/h4-5,7H,2-3,6H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 47492552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).