4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide

C21H17F2N3O2 — CID 109092396

IUPAC4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1)c1ccccc1
InChIInChI=1S/C21H17F2N3O2/c1-2-26(16-6-4-3-5-7-16)21(28)19-12-14(10-11-24-19)20(27)25-15-8-9-17(22)18(23)13-15/h3-13H,2H2,1H3,(H,25,27)
InChIKeyBHEKHCWBLOEWNQ-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.28
Rot. Bonds5

About 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide

4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109092396) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109092396
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1)c1ccccc1
InChIInChI=1S/C21H17F2N3O2/c1-2-26(16-6-4-3-5-7-16)21(28)19-12-14(10-11-24-19)20(27)25-15-8-9-17(22)18(23)13-15/h3-13H,2H2,1H3,(H,25,27)
InChIKeyBHEKHCWBLOEWNQ-UHFFFAOYSA-N
XLogP4.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-4-N-(3-fluorophenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092385
4-N-(3,4-dimethylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091876
4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092374
4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220308
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
2-N-ethyl-4-N-(2-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092376
4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091494
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
2-N-(3,4-difluorophenyl)-4-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092288
4-N-(4-chlorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091489
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide (CID 109092396) is 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide is CCN(C(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1)c1ccccc1.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is BHEKHCWBLOEWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-2-26(16-6-4-3-5-7-16)21(28)19-12-14(10-11-24-19)20(27)25-15-8-9-17(22)18(23)13-15/h3-13H,2H2,1H3,(H,25,27).
What are the key properties of 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide?
4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 381.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).