4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide

C23H23N3O2 — CID 109086207

IUPAC4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C23H23N3O2/c1-16-8-7-9-17(2)21(16)25-22(27)20-14-19(12-13-24-20)23(28)26(3)15-18-10-5-4-6-11-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyHHHSOMMJDUMDPY-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.22
Rot. Bonds5

About 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide

4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109086207) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
PubChem CID109086207
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C23H23N3O2/c1-16-8-7-9-17(2)21(16)25-22(27)20-14-19(12-13-24-20)23(28)26(3)15-18-10-5-4-6-11-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyHHHSOMMJDUMDPY-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086172
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109086315
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089566

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide (CID 109086207) is 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide is Cc1cccc(C)c1NC(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccn1.
What is the InChIKey of 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is HHHSOMMJDUMDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-8-7-9-17(2)21(16)25-22(27)20-14-19(12-13-24-20)23(28)26(3)15-18-10-5-4-6-11-18/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.22, 5 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-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).