N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H16F3N3O3 — CID 166256755

IUPACN-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN1CCOCC1CNC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O3/c1-19-2-3-22-7-9(19)6-18-11(20)8-4-10(13(14,15)16)12(21)17-5-8/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)(H,18,20)
InChIKeyFXNGUUHMLZIBLF-UHFFFAOYSA-N
MW319.28 g/mol
LogP0.45
Rot. Bonds3

About N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166256755) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166256755
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN1CCOCC1CNC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O3/c1-19-2-3-22-7-9(19)6-18-11(20)8-4-10(13(14,15)16)12(21)17-5-8/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)(H,18,20)
InChIKeyFXNGUUHMLZIBLF-UHFFFAOYSA-N
XLogP0.45
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166256755) is N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN1CCOCC1CNC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FXNGUUHMLZIBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-19-2-3-22-7-9(19)6-18-11(20)8-4-10(13(14,15)16)12(21)17-5-8/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166256755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).