N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide

C16H15F2N3O2 — CID 25161578

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccccn1
InChIInChI=1S/C16H15F2N3O2/c1-2-21(16(23)13-8-3-4-9-19-13)10-14(22)20-15-11(17)6-5-7-12(15)18/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeySCYBPIJFNJYBNN-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide (PubChem CID 25161578) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
PubChem CID25161578
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccccn1
InChIInChI=1S/C16H15F2N3O2/c1-2-21(16(23)13-8-3-4-9-19-13)10-14(22)20-15-11(17)6-5-7-12(15)18/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeySCYBPIJFNJYBNN-UHFFFAOYSA-N
XLogP2.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide (CID 25161578) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccccn1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide?
The InChIKey is SCYBPIJFNJYBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-2-21(16(23)13-8-3-4-9-19-13)10-14(22)20-15-11(17)6-5-7-12(15)18/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 25161578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).