2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide

C21H20N4O2 — CID 109097501

IUPAC2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C(=O)NCc3ccncc3)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-15-5-7-16(8-6-15)13-23-20(26)18-3-2-4-19(25-18)21(27)24-14-17-9-11-22-12-10-17/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyVESFJWXZGJCDFN-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.65
Rot. Bonds6

About 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide

2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109097501) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109097501
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C(=O)NCc3ccncc3)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-15-5-7-16(8-6-15)13-23-20(26)18-3-2-4-19(25-18)21(27)24-14-17-9-11-22-12-10-17/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyVESFJWXZGJCDFN-UHFFFAOYSA-N
XLogP2.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098333
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660
6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097568
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
6-N-(4-methoxyphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097550
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide (CID 109097501) is 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide is Cc1ccc(CNC(=O)c2cccc(C(=O)NCc3ccncc3)n2)cc1.
What is the InChIKey of 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is VESFJWXZGJCDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-5-7-16(8-6-15)13-23-20(26)18-3-2-4-19(25-18)21(27)24-14-17-9-11-22-12-10-17/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).