6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide

C21H28N4O2 — CID 109096524

IUPAC6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C21H28N4O2/c1-4-25(16-17-10-6-5-7-11-17)21(27)19-13-8-12-18(23-19)20(26)22-14-9-15-24(2)3/h5-8,10-13H,4,9,14-16H2,1-3H3,(H,22,26)
InChIKeySRVIGTDHJNVEFA-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.43
Rot. Bonds9

About 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide

6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide (PubChem CID 109096524) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
PubChem CID109096524
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C21H28N4O2/c1-4-25(16-17-10-6-5-7-11-17)21(27)19-13-8-12-18(23-19)20(26)22-14-9-15-24(2)3/h5-8,10-13H,4,9,14-16H2,1-3H3,(H,22,26)
InChIKeySRVIGTDHJNVEFA-UHFFFAOYSA-N
XLogP2.43
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
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-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074
6-N-benzyl-2-N-(2,5-dimethylphenyl)-6-N-ethylpyridine-2,6-dicarboxamide
CID 109098095
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109133978
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
6-N-benzyl-6-N-propan-2-yl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093496
2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096535

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide (CID 109096524) is 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCCCN(C)C)n1.
What is the InChIKey of 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide?
The InChIKey is SRVIGTDHJNVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-25(16-17-10-6-5-7-11-17)21(27)19-13-8-12-18(23-19)20(26)22-14-9-15-24(2)3/h5-8,10-13H,4,9,14-16H2,1-3H3,(H,22,26).
What are the key properties of 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide?
6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).