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

C23H24N4O2 — CID 109087819

IUPAC4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-27(2)20-10-8-19(9-11-20)26-22(28)18-13-15-24-21(16-18)23(29)25-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKHGLHDOFQADANN-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.37
Rot. Bonds7

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

4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087819) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109087819
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-27(2)20-10-8-19(9-11-20)26-22(28)18-13-15-24-21(16-18)23(29)25-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKHGLHDOFQADANN-UHFFFAOYSA-N
XLogP3.37
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213610
2-N-(4-ethylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087726
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088075
4-N-[4-(dimethylamino)phenyl]-2-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092240
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088541
2-N-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (CID 109087819) is 4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is CN(C)c1ccc(NC(=O)c2ccnc(C(=O)NCCc3ccccc3)c2)cc1.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is KHGLHDOFQADANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27(2)20-10-8-19(9-11-20)26-22(28)18-13-15-24-21(16-18)23(29)25-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).