4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide

C23H23N3O3 — CID 109086172

IUPAC4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C23H23N3O3/c1-26(16-17-8-4-3-5-9-17)23(28)18-12-13-24-20(14-18)22(27)25-15-19-10-6-7-11-21(19)29-2/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyNQDKJDMLRISYBF-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.29
Rot. Bonds7

About 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide

4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109086172) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
PubChem CID109086172
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C23H23N3O3/c1-26(16-17-8-4-3-5-9-17)23(28)18-12-13-24-20(14-18)22(27)25-15-19-10-6-7-11-21(19)29-2/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyNQDKJDMLRISYBF-UHFFFAOYSA-N
XLogP3.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
6-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109097655
2-N-[2-(dimethylamino)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083565
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
4-N-[(2-methoxyphenyl)methyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086804
4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109085295
4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209
4-[benzyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109211018
N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
CID 109305113

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide (CID 109086172) is 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide is COc1ccccc1CNC(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccn1.
What is the InChIKey of 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is NQDKJDMLRISYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26(16-17-8-4-3-5-9-17)23(28)18-12-13-24-20(14-18)22(27)25-15-19-10-6-7-11-21(19)29-2/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).