N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

C13H16F3N3O3 — CID 138058141

IUPACN-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCn1cccc(NC(=O)N2CCOC(CC(F)(F)F)C2)c1=O
InChIInChI=1S/C13H16F3N3O3/c1-18-4-2-3-10(11(18)20)17-12(21)19-5-6-22-9(8-19)7-13(14,15)16/h2-4,9H,5-8H2,1H3,(H,17,21)
InChIKeyNRGIWUKZXUYITC-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.57
Rot. Bonds2

About N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 138058141) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID138058141
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCn1cccc(NC(=O)N2CCOC(CC(F)(F)F)C2)c1=O
InChIInChI=1S/C13H16F3N3O3/c1-18-4-2-3-10(11(18)20)17-12(21)19-5-6-22-9(8-19)7-13(14,15)16/h2-4,9H,5-8H2,1H3,(H,17,21)
InChIKeyNRGIWUKZXUYITC-UHFFFAOYSA-N
XLogP1.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 138058141) is N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is Cn1cccc(NC(=O)N2CCOC(CC(F)(F)F)C2)c1=O.
What is the InChIKey of N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is NRGIWUKZXUYITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-18-4-2-3-10(11(18)20)17-12(21)19-5-6-22-9(8-19)7-13(14,15)16/h2-4,9H,5-8H2,1H3,(H,17,21).
What are the key properties of N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 138058141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).