5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide

C22H30N4O2 — CID 109104332

IUPAC5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C22H30N4O2/c1-5-16-9-7-10-17(6-2)20(16)25-22(28)19-13-18(14-23-15-19)21(27)24-11-8-12-26(3)4/h7,9-10,13-15H,5-6,8,11-12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyKZFAEXZASWBFJF-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.14
Rot. Bonds9

About 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide

5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide (PubChem CID 109104332) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
PubChem CID109104332
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C22H30N4O2/c1-5-16-9-7-10-17(6-2)20(16)25-22(28)19-13-18(14-23-15-19)21(27)24-11-8-12-26(3)4/h7,9-10,13-15H,5-6,8,11-12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyKZFAEXZASWBFJF-UHFFFAOYSA-N
XLogP3.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
CID 109104102
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106761
5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103645
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
ethyl 2-[[5-[3-(dimethylamino)propylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104386
5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109106930
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
CID 167310023
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide (CID 109104332) is 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1cncc(C(=O)NCCCN(C)C)c1.
What is the InChIKey of 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The InChIKey is KZFAEXZASWBFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-16-9-7-10-17(6-2)20(16)25-22(28)19-13-18(14-23-15-19)21(27)24-11-8-12-26(3)4/h7,9-10,13-15H,5-6,8,11-12H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).