2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide

C14H18F3N3O3 — CID 48642010

IUPAC2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC(C)(C)O1
InChIInChI=1S/C14H18F3N3O3/c1-8-6-20(7-13(2,3)23-8)12(22)19-10-4-9(14(15,16)17)5-18-11(10)21/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyQIBHFVXFLWMSIB-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.42
Rot. Bonds1

About 2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide

2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide (PubChem CID 48642010) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
PubChem CID48642010
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC(C)(C)O1
InChIInChI=1S/C14H18F3N3O3/c1-8-6-20(7-13(2,3)23-8)12(22)19-10-4-9(14(15,16)17)5-18-11(10)21/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyQIBHFVXFLWMSIB-UHFFFAOYSA-N
XLogP2.42
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide (CID 48642010) is 2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6-trimethyl-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)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
The InChIKey is QIBHFVXFLWMSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-8-6-20(7-13(2,3)23-8)12(22)19-10-4-9(14(15,16)17)5-18-11(10)21/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 48642010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).