3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

C17H18ClN3O2 — CID 109106769

IUPAC3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2/c1-3-21(4-2)17(23)13-9-12(10-19-11-13)16(22)20-15-7-5-14(18)6-8-15/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyFLOHZLIEUKURTL-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.47
Rot. Bonds5

About 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (PubChem CID 109106769) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
PubChem CID109106769
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2/c1-3-21(4-2)17(23)13-9-12(10-19-11-13)16(22)20-15-7-5-14(18)6-8-15/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyFLOHZLIEUKURTL-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106831
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106817
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106761
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617
3-N-(2,3-dimethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106753
5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240944
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106836
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (CID 109106769) is 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is CCN(CC)C(=O)c1cncc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The InChIKey is FLOHZLIEUKURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-3-21(4-2)17(23)13-9-12(10-19-11-13)16(22)20-15-7-5-14(18)6-8-15/h5-11H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).