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

C22H21N3O2 — CID 109107769

IUPAC3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-15(2)16-8-10-20(11-9-16)25-22(27)18-12-17(13-23-14-18)21(26)24-19-6-4-3-5-7-19/h3-15H,1-2H3,(H,24,26)(H,25,27)
InChIKeyHJJNBEPDPTXBHH-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.71
Rot. Bonds5

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

3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109107769) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109107769
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-15(2)16-8-10-20(11-9-16)25-22(27)18-12-17(13-23-14-18)21(26)24-19-6-4-3-5-7-19/h3-15H,1-2H3,(H,24,26)(H,25,27)
InChIKeyHJJNBEPDPTXBHH-UHFFFAOYSA-N
XLogP4.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108609
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
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109106910
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437

Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (CID 109107769) is 3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is CC(C)c1ccc(NC(=O)c2cncc(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is HJJNBEPDPTXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15(2)16-8-10-20(11-9-16)25-22(27)18-12-17(13-23-14-18)21(26)24-19-6-4-3-5-7-19/h3-15H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).