3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

C17H17Cl2N3O2 — CID 109106831

IUPAC3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-3-22(4-2)17(24)12-7-11(9-20-10-12)16(23)21-15-8-13(18)5-6-14(15)19/h5-10H,3-4H2,1-2H3,(H,21,23)
InChIKeyNGAPWKNOLABFHV-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.12
Rot. Bonds5

About 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (PubChem CID 109106831) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
PubChem CID109106831
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-3-22(4-2)17(24)12-7-11(9-20-10-12)16(23)21-15-8-13(18)5-6-14(15)19/h5-10H,3-4H2,1-2H3,(H,21,23)
InChIKeyNGAPWKNOLABFHV-UHFFFAOYSA-N
XLogP4.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106769
5-N-(2,5-dichlorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101895
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106836
3-N-(2,3-dimethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106753
N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262569
N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242360
N-(2,5-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223537
5-N-(2,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104953
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106761
3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106788
N-(2,5-dichlorophenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102983
5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238810

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (CID 109106831) is 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is CCN(CC)C(=O)c1cncc(C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The InChIKey is NGAPWKNOLABFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-3-22(4-2)17(24)12-7-11(9-20-10-12)16(23)21-15-8-13(18)5-6-14(15)19/h5-10H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide has a molecular weight of 366.25 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).