4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide

C21H20N4O2 — CID 109086176

IUPAC4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H20N4O2/c1-25(15-16-6-3-2-4-7-16)21(27)18-9-11-23-19(12-18)20(26)24-14-17-8-5-10-22-13-17/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyQBWGKEOEGJGBFP-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.68
Rot. Bonds6

About 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide

4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109086176) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109086176
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H20N4O2/c1-25(15-16-6-3-2-4-7-16)21(27)18-9-11-23-19(12-18)20(26)24-14-17-8-5-10-22-13-17/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyQBWGKEOEGJGBFP-UHFFFAOYSA-N
XLogP2.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086172
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086207
4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 109086251
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide
CID 71801417

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (CID 109086176) is 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is QBWGKEOEGJGBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25(15-16-6-3-2-4-7-16)21(27)18-9-11-23-19(12-18)20(26)24-14-17-8-5-10-22-13-17/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).