4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide

C22H19N5O2 — CID 109093258

IUPAC4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccn2)cc1
InChIInChI=1S/C22H19N5O2/c1-27(2)19-8-6-17(7-9-19)25-22(29)20-13-16(10-11-24-20)21(28)26-18-5-3-4-15(12-18)14-23/h3-13H,1-2H3,(H,25,29)(H,26,28)
InChIKeyKKUDMFMMUUSGFC-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.52
Rot. Bonds5

About 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide

4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109093258) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109093258
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccn2)cc1
InChIInChI=1S/C22H19N5O2/c1-27(2)19-8-6-17(7-9-19)25-22(29)20-13-16(10-11-24-20)21(28)26-18-5-3-4-15(12-18)14-23/h3-13H,1-2H3,(H,25,29)(H,26,28)
InChIKeyKKUDMFMMUUSGFC-UHFFFAOYSA-N
XLogP3.52
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079174
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide (CID 109093258) is 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide is CN(C)c1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccn2)cc1.
What is the InChIKey of 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is KKUDMFMMUUSGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-27(2)19-8-6-17(7-9-19)25-22(29)20-13-16(10-11-24-20)21(28)26-18-5-3-4-15(12-18)14-23/h3-13H,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide?
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109093258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).