4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide

C22H18N4O2 — CID 109091863

IUPAC4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccn2)c1
InChIInChI=1S/C22H18N4O2/c1-14-6-7-15(2)19(10-14)26-22(28)20-12-17(8-9-24-20)21(27)25-18-5-3-4-16(11-18)13-23/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWATQIBHNKWSBGW-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.07
Rot. Bonds4

About 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide

4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109091863) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109091863
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccn2)c1
InChIInChI=1S/C22H18N4O2/c1-14-6-7-15(2)19(10-14)26-22(28)20-12-17(8-9-24-20)21(27)25-18-5-3-4-16(11-18)13-23/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWATQIBHNKWSBGW-UHFFFAOYSA-N
XLogP4.07
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356910
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682
4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079174
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide (CID 109091863) is 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide is Cc1ccc(C)c(NC(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccn2)c1.
What is the InChIKey of 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is WATQIBHNKWSBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14-6-7-15(2)19(10-14)26-22(28)20-12-17(8-9-24-20)21(27)25-18-5-3-4-16(11-18)13-23/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109091863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).