6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide

C11H13F3N2O3 — CID 103717467

IUPAC6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCOCC(F)(F)F)c[nH]1
InChIInChI=1S/C11H13F3N2O3/c1-7-4-9(17)8(5-16-7)10(18)15-2-3-19-6-11(12,13)14/h4-5H,2-3,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyLOUXRDAGGZRRGF-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.99
Rot. Bonds5

About 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 103717467) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
PubChem CID103717467
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCOCC(F)(F)F)c[nH]1
InChIInChI=1S/C11H13F3N2O3/c1-7-4-9(17)8(5-16-7)10(18)15-2-3-19-6-11(12,13)14/h4-5H,2-3,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyLOUXRDAGGZRRGF-UHFFFAOYSA-N
XLogP0.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696535
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047
6-methyl-4-oxo-N-pent-3-ynyl-1H-pyridine-3-carboxamide
CID 104581008
6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696440
3-amino-5-bromo-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 107872781

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide (CID 103717467) is 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCOCC(F)(F)F)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is LOUXRDAGGZRRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7-4-9(17)8(5-16-7)10(18)15-2-3-19-6-11(12,13)14/h4-5H,2-3,6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103717467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).