1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide

C21H27N3O2 — CID 109048088

IUPAC1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-5-15-23(2)20(25)18-6-8-19(9-7-18)21(26)24(3)16-12-17-10-13-22-14-11-17/h6-11,13-14H,4-5,12,15-16H2,1-3H3
InChIKeyRJPXRHCAVSJJNT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.27
Rot. Bonds8

About 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide

1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 109048088) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
PubChem CID109048088
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-5-15-23(2)20(25)18-6-8-19(9-7-18)21(26)24(3)16-12-17-10-13-22-14-11-17/h6-11,13-14H,4-5,12,15-16H2,1-3H3
InChIKeyRJPXRHCAVSJJNT-UHFFFAOYSA-N
XLogP3.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047745
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977831
N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 109058007
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109065020
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide (CID 109048088) is 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide is CCCCN(C)C(=O)c1ccc(C(=O)N(C)CCc2ccncc2)cc1.
What is the InChIKey of 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is RJPXRHCAVSJJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-5-15-23(2)20(25)18-6-8-19(9-7-18)21(26)24(3)16-12-17-10-13-22-14-11-17/h6-11,13-14H,4-5,12,15-16H2,1-3H3.
What are the key properties of 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).