N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

C11H14F2N2O3 — CID 103082580

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCOCC(F)F)cc1=O
InChIInChI=1S/C11H14F2N2O3/c1-15-4-2-8(6-10(15)16)11(17)14-3-5-18-7-9(12)13/h2,4,6,9H,3,5,7H2,1H3,(H,14,17)
InChIKeyGNFHLWQOFBXVAR-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.40
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 103082580) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID103082580
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCOCC(F)F)cc1=O
InChIInChI=1S/C11H14F2N2O3/c1-15-4-2-8(6-10(15)16)11(17)14-3-5-18-7-9(12)13/h2,4,6,9H,3,5,7H2,1H3,(H,14,17)
InChIKeyGNFHLWQOFBXVAR-UHFFFAOYSA-N
XLogP0.40
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104857762
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylbenzamide
CID 103082770
N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103719329
N-[2-(2-fluorophenoxy)propyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71994313
1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 64532003

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 103082580) is N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCCOCC(F)F)cc1=O.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is GNFHLWQOFBXVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-15-4-2-8(6-10(15)16)11(17)14-3-5-18-7-9(12)13/h2,4,6,9H,3,5,7H2,1H3,(H,14,17).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 260.24 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103082580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).