2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide

C17H17F2N3O2 — CID 109088871

IUPAC2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2N3O2/c1-3-22(4-2)17(24)11-7-8-20-15(9-11)16(23)21-14-6-5-12(18)10-13(14)19/h5-10H,3-4H2,1-2H3,(H,21,23)
InChIKeyBETLNHCLZPGJAF-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.09
Rot. Bonds5

About 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide

2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide (PubChem CID 109088871) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
PubChem CID109088871
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2N3O2/c1-3-22(4-2)17(24)11-7-8-20-15(9-11)16(23)21-14-6-5-12(18)10-13(14)19/h5-10H,3-4H2,1-2H3,(H,21,23)
InChIKeyBETLNHCLZPGJAF-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088860
2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088863
4-N-(2,4-difluorophenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092315
2-N-(2,4-difluorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078181
4-N-(2,4-difluorophenyl)-2-N-(2,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091777
2-N-(4-chlorophenyl)-4-N-(2,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109092888
2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086914
2-N-(2,4-difluorophenyl)-4-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091819
4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087685
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
2-N-(3,4-dimethylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088798
N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207420

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide (CID 109088871) is 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide is CCN(CC)C(=O)c1ccnc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
The InChIKey is BETLNHCLZPGJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-3-22(4-2)17(24)11-7-8-20-15(9-11)16(23)21-14-6-5-12(18)10-13(14)19/h5-10H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide?
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide has a molecular weight of 333.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).