4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide

C17H18FN3O2 — CID 109088860

IUPAC4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H18FN3O2/c1-3-21(4-2)17(23)12-8-9-19-15(10-12)16(22)20-14-7-5-6-13(18)11-14/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyWMQMOEMCIGCUFZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.95
Rot. Bonds5

About 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide

4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109088860) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109088860
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H18FN3O2/c1-3-21(4-2)17(23)12-8-9-19-15(10-12)16(22)20-14-7-5-6-13(18)11-14/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyWMQMOEMCIGCUFZ-UHFFFAOYSA-N
XLogP2.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088871
2-N-(3,4-dimethylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088798
2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177
2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109079525
2-N-ethyl-4-N-(3-fluorophenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092385
2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090505
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
2-N-(4-acetylphenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093206
4-N,4-N-diethyl-2-N-(4-phenoxyphenyl)pyridine-2,4-dicarboxamide
CID 109088859
2-N-(3,4-difluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093279
2-N-(3-fluorophenyl)-4-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092508
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide (CID 109088860) is 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide is CCN(CC)C(=O)c1ccnc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is WMQMOEMCIGCUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-3-21(4-2)17(23)12-8-9-19-15(10-12)16(22)20-14-7-5-6-13(18)11-14/h5-11H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).