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

C22H21N3O3 — CID 109085284

IUPAC4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C22H21N3O3/c1-28-20-10-6-5-9-18(20)15-25-22(27)19-13-17(11-12-23-19)21(26)24-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyRMLRODDZBJSPCK-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.95
Rot. Bonds7

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

4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109085284) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109085284
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C22H21N3O3/c1-28-20-10-6-5-9-18(20)15-25-22(27)19-13-17(11-12-23-19)21(26)24-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyRMLRODDZBJSPCK-UHFFFAOYSA-N
XLogP2.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109085295
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086172
2-N-(furan-2-ylmethyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085151
2-N-[2-(dimethylamino)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083565
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-N-[(2-methoxyphenyl)methyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086804
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086818
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938
4-N-(2,4-dimethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086851

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109085284) is 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide is COc1ccccc1CNC(=O)c1cc(C(=O)NCc2ccccc2)ccn1.
What is the InChIKey of 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is RMLRODDZBJSPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-20-10-6-5-9-18(20)15-25-22(27)19-13-17(11-12-23-19)21(26)24-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 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]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).