5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide

C24H28N4O — CID 109244078

IUPAC5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cncc(Nc3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C24H28N4O/c1-24(2,3)18-6-8-19(9-7-18)26-21-14-17(15-25-16-21)23(29)27-20-10-12-22(13-11-20)28(4)5/h6-16,26H,1-5H3,(H,27,29)
InChIKeyVONUPLZMCLQXEI-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.44
Rot. Bonds5

About 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide

5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 109244078) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
PubChem CID109244078
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cncc(Nc3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C24H28N4O/c1-24(2,3)18-6-8-19(9-7-18)26-21-14-17(15-25-16-21)23(29)27-20-10-12-22(13-11-20)28(4)5/h6-16,26H,1-5H3,(H,27,29)
InChIKeyVONUPLZMCLQXEI-UHFFFAOYSA-N
XLogP5.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.44
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

5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245894
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245994
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242872
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227960
N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239969
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
N-(2-chloro-4,6-dimethylphenyl)-5-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109244980

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (CID 109244078) is 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2cncc(Nc3ccc(C(C)(C)C)cc3)c2)cc1.
What is the InChIKey of 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is VONUPLZMCLQXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-24(2,3)18-6-8-19(9-7-18)26-21-14-17(15-25-16-21)23(29)27-20-10-12-22(13-11-20)28(4)5/h6-16,26H,1-5H3,(H,27,29).
What are the key properties of 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109244078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).