5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

C23H23N3O2 — CID 109107855

IUPAC5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cncc(C(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H23N3O2/c1-15(2)17-8-10-20(11-9-17)25-22(27)18-12-19(14-24-13-18)23(28)26-21-7-5-4-6-16(21)3/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyXSDIMXODMVNVMV-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.02
Rot. Bonds5

About 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109107855) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109107855
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cncc(C(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H23N3O2/c1-15(2)17-8-10-20(11-9-17)25-22(27)18-12-19(14-24-13-18)23(28)26-21-7-5-4-6-16(21)3/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyXSDIMXODMVNVMV-UHFFFAOYSA-N
XLogP5.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108609
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
3-N-(3-chloro-4-methylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107869
5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102183
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107123
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101805
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (CID 109107855) is 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is Cc1ccccc1NC(=O)c1cncc(C(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is XSDIMXODMVNVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(2)17-8-10-20(11-9-17)25-22(27)18-12-19(14-24-13-18)23(28)26-21-7-5-4-6-16(21)3/h4-15H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).