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

C22H20ClN3O2 — CID 109086171

IUPAC4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20ClN3O2/c1-26(15-17-5-3-2-4-6-17)22(28)18-11-12-24-20(13-18)21(27)25-14-16-7-9-19(23)10-8-16/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyBPKRKVVWLONGHP-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.94
Rot. Bonds6

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

4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109086171) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
PubChem CID109086171
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20ClN3O2/c1-26(15-17-5-3-2-4-6-17)22(28)18-11-12-24-20(13-18)21(27)25-14-16-7-9-19(23)10-8-16/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyBPKRKVVWLONGHP-UHFFFAOYSA-N
XLogP3.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 109086251
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176
4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730122
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086172
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
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
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109086759
4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide (CID 109086171) is 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is BPKRKVVWLONGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-26(15-17-5-3-2-4-6-17)22(28)18-11-12-24-20(13-18)21(27)25-14-16-7-9-19(23)10-8-16/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 393.87 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).