4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide

C22H21N3O2 — CID 109047561

IUPAC4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccn3)cc2)cc1C
InChIInChI=1S/C22H21N3O2/c1-15-6-11-19(13-16(15)2)25-22(27)18-9-7-17(8-10-18)21(26)24-14-20-5-3-4-12-23-20/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQCVBOOUMRPALNF-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.88
Rot. Bonds5

About 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide

4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109047561) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109047561
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccn3)cc2)cc1C
InChIInChI=1S/C22H21N3O2/c1-15-6-11-19(13-16(15)2)25-22(27)18-9-7-17(8-10-18)21(26)24-14-20-5-3-4-12-23-20/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQCVBOOUMRPALNF-UHFFFAOYSA-N
XLogP3.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105950
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
1-N-(3,4-dimethylphenyl)-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070625
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783941
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 101015453
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
CID 18107560
6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370880
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide (CID 109047561) is 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccn3)cc2)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is QCVBOOUMRPALNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-6-11-19(13-16(15)2)25-22(27)18-9-7-17(8-10-18)21(26)24-14-20-5-3-4-12-23-20/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).