3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

C19H21N3O3 — CID 109106794

IUPAC3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-4-22(5-2)19(25)16-9-15(11-20-12-16)18(24)21-17-8-6-7-14(10-17)13(3)23/h6-12H,4-5H2,1-3H3,(H,21,24)
InChIKeyNDJWMAVIUTVARD-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.02
Rot. Bonds6

About 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (PubChem CID 109106794) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
PubChem CID109106794
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-4-22(5-2)19(25)16-9-15(11-20-12-16)18(24)21-17-8-6-7-14(10-17)13(3)23/h6-12H,4-5H2,1-3H3,(H,21,24)
InChIKeyNDJWMAVIUTVARD-UHFFFAOYSA-N
XLogP3.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106769
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106761
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106817
3-N-(3-methylphenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107576
3-N-(2,3-dimethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106753
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (CID 109106794) is 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is CCN(CC)C(=O)c1cncc(C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The InChIKey is NDJWMAVIUTVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-22(5-2)19(25)16-9-15(11-20-12-16)18(24)21-17-8-6-7-14(10-17)13(3)23/h6-12H,4-5H2,1-3H3,(H,21,24).
What are the key properties of 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).