6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

C21H20N4O2 — CID 109098258

IUPAC6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C21H20N4O2/c1-14-6-3-7-15(2)19(14)25-21(27)18-10-4-9-17(24-18)20(26)23-13-16-8-5-11-22-12-16/h3-12H,13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyFWTJUFFLUFSTSN-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.28
Rot. Bonds5

About 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109098258) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109098258
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C21H20N4O2/c1-14-6-3-7-15(2)19(14)25-21(27)18-10-4-9-17(24-18)20(26)23-13-16-8-5-11-22-12-16/h3-12H,13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyFWTJUFFLUFSTSN-UHFFFAOYSA-N
XLogP3.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098263
6-N-(2,6-diethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098267
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
dicopper;methanol;bis(6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylate);dichloride;pentahydrate
CID 139158103
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098282
3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109106036
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
7-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 110852008
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (CID 109098258) is 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is Cc1cccc(C)c1NC(=O)c1cccc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is FWTJUFFLUFSTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-6-3-7-15(2)19(14)25-21(27)18-10-4-9-17(24-18)20(26)23-13-16-8-5-11-22-12-16/h3-12H,13H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).