3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

C21H27N3O2 — CID 109106761

IUPAC3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(C(=O)N(CC)CC)c1
InChIInChI=1S/C21H27N3O2/c1-5-15-10-9-11-16(6-2)19(15)23-20(25)17-12-18(14-22-13-17)21(26)24(7-3)8-4/h9-14H,5-8H2,1-4H3,(H,23,25)
InChIKeyKKSNNCDIXZDADH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.94
Rot. Bonds7

About 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (PubChem CID 109106761) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
PubChem CID109106761
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(C(=O)N(CC)CC)c1
InChIInChI=1S/C21H27N3O2/c1-5-15-10-9-11-16(6-2)19(15)23-20(25)17-12-18(14-22-13-17)21(26)24(7-3)8-4/h9-14H,5-8H2,1-4H3,(H,23,25)
InChIKeyKKSNNCDIXZDADH-UHFFFAOYSA-N
XLogP3.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109106930
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332
3-N-(2,3-dimethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106753
3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106769
5-(tert-butylamino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109239408
N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102577
5-N-cyclohexyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109103083
3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
CID 109104102
3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106831
3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106817

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (CID 109106761) is 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1cncc(C(=O)N(CC)CC)c1.
What is the InChIKey of 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The InChIKey is KKSNNCDIXZDADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-15-10-9-11-16(6-2)19(15)23-20(25)17-12-18(14-22-13-17)21(26)24(7-3)8-4/h9-14H,5-8H2,1-4H3,(H,23,25).
What are the key properties of 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).