3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide

C22H22N4O2 — CID 109106036

IUPAC3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(C(=O)NCc3cccnc3)c2)c(C)c1
InChIInChI=1S/C22H22N4O2/c1-14-7-15(2)20(16(3)8-14)26-22(28)19-9-18(12-24-13-19)21(27)25-11-17-5-4-6-23-10-17/h4-10,12-13H,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJMSVDCVZDFZHPN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.58
Rot. Bonds5

About 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide

3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109106036) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109106036
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(C(=O)NCc3cccnc3)c2)c(C)c1
InChIInChI=1S/C22H22N4O2/c1-14-7-15(2)20(16(3)8-14)26-22(28)19-9-18(12-24-13-19)21(27)25-11-17-5-4-6-23-10-17/h4-10,12-13H,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJMSVDCVZDFZHPN-UHFFFAOYSA-N
XLogP3.58
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,6-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106084
5-N-(4-chloro-2-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106048
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106049
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 46032131
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
3-N-propyl-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109101238
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859

Frequently Asked Questions

What is the IUPAC name of 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide (CID 109106036) is 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide is Cc1cc(C)c(NC(=O)c2cncc(C(=O)NCc3cccnc3)c2)c(C)c1.
What is the InChIKey of 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is JMSVDCVZDFZHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-7-15(2)20(16(3)8-14)26-22(28)19-9-18(12-24-13-19)21(27)25-11-17-5-4-6-23-10-17/h4-10,12-13H,11H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide?
3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).