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

C22H20ClN3O2 — CID 109092487

IUPAC4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-14(2)15-3-7-18(8-4-15)26-22(28)20-13-16(11-12-24-20)21(27)25-19-9-5-17(23)6-10-19/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKYTWJEDOXYDHCE-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.36
Rot. Bonds5

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

4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109092487) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109092487
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-14(2)15-3-7-18(8-4-15)26-22(28)20-13-16(11-12-24-20)21(27)25-19-9-5-17(23)6-10-19/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKYTWJEDOXYDHCE-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

4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092499
2-N-(2-chlorophenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092468
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109090742

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (CID 109092487) is 4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is CC(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is KYTWJEDOXYDHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-14(2)15-3-7-18(8-4-15)26-22(28)20-13-16(11-12-24-20)21(27)25-19-9-5-17(23)6-10-19/h3-14H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-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 4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).