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

C22H20ClN3O2 — CID 109108609

IUPAC5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-14(2)15-7-9-18(10-8-15)25-21(27)16-11-17(13-24-12-16)22(28)26-20-6-4-3-5-19(20)23/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyLLLZWLKLMZNPTN-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.36
Rot. Bonds5

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

5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109108609) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109108609
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-14(2)15-7-9-18(10-8-15)25-21(27)16-11-17(13-24-12-16)22(28)26-20-6-4-3-5-19(20)23/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyLLLZWLKLMZNPTN-UHFFFAOYSA-N
XLogP5.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
2-N-(2-chlorophenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092468
5-N-(2-chlorophenyl)-3-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107934
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
3-N-(2-chlorophenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108073
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (CID 109108609) is 5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is CC(C)c1ccc(NC(=O)c2cncc(C(=O)Nc3ccccc3Cl)c2)cc1.
What is the InChIKey of 5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is LLLZWLKLMZNPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-14(2)15-7-9-18(10-8-15)25-21(27)16-11-17(13-24-12-16)22(28)26-20-6-4-3-5-19(20)23/h3-14H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 393.87 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109108609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).