2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide

C21H28N4O2 — CID 109096578

IUPAC2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C(=O)NCCCN(C)C)n2)c(C)c1
InChIInChI=1S/C21H28N4O2/c1-14-12-15(2)19(16(3)13-14)24-21(27)18-9-6-8-17(23-18)20(26)22-10-7-11-25(4)5/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,22,26)(H,24,27)
InChIKeyQOMYTMKTEAKTIO-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.94
Rot. Bonds7

About 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide

2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109096578) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109096578
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C(=O)NCCCN(C)C)n2)c(C)c1
InChIInChI=1S/C21H28N4O2/c1-14-12-15(2)19(16(3)13-14)24-21(27)18-9-6-8-17(23-18)20(26)22-10-7-11-25(4)5/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,22,26)(H,24,27)
InChIKeyQOMYTMKTEAKTIO-UHFFFAOYSA-N
XLogP2.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.94
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

6-N-(2-chloro-4,6-dimethylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096369
6-N,6-N-diethyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109098988
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053445
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108944231
6-N-(5-chloro-2-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096365
N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109325631
6-N-propan-2-yl-2-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109093718
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594
6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096412
6-N-butyl-2-N-(2,6-dimethylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099543

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide (CID 109096578) is 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide is Cc1cc(C)c(NC(=O)c2cccc(C(=O)NCCCN(C)C)n2)c(C)c1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is QOMYTMKTEAKTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-12-15(2)19(16(3)13-14)24-21(27)18-9-6-8-17(23-18)20(26)22-10-7-11-25(4)5/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,22,26)(H,24,27).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide?
2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).