1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide

C22H23N3O2 — CID 155551400

IUPAC1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)C(C(N)=O)=C(C)N1Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-14-18(21(23)26)20(17-11-7-4-8-12-17)19(22(24)27)15(2)25(14)13-16-9-5-3-6-10-16/h3-12,20H,13H2,1-2H3,(H2,23,26)(H2,24,27)
InChIKeyGSMXQPCCVIDHTD-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.80
Rot. Bonds5

About 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide

1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide (PubChem CID 155551400) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide
PubChem CID155551400
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)C(C(N)=O)=C(C)N1Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-14-18(21(23)26)20(17-11-7-4-8-12-17)19(22(24)27)15(2)25(14)13-16-9-5-3-6-10-16/h3-12,20H,13H2,1-2H3,(H2,23,26)(H2,24,27)
InChIKeyGSMXQPCCVIDHTD-UHFFFAOYSA-N
XLogP2.80
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide (CID 155551400) is 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide is CC1=C(C(N)=O)C(c2ccccc2)C(C(N)=O)=C(C)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide?
The InChIKey is GSMXQPCCVIDHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-18(21(23)26)20(17-11-7-4-8-12-17)19(22(24)27)15(2)25(14)13-16-9-5-3-6-10-16/h3-12,20H,13H2,1-2H3,(H2,23,26)(H2,24,27).
What are the key properties of 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide?
1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide is sourced from PubChem (CID 155551400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).