4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide

C23H26N4O — CID 109219248

IUPAC4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccnc(C(=O)Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H26N4O/c1-4-27(5-2)21-12-10-18(11-13-21)25-20-14-15-24-22(16-20)23(28)26-19-8-6-17(3)7-9-19/h6-16H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyYAFPHVXSUMETIV-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.23
Rot. Bonds7

About 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide

4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109219248) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID109219248
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccnc(C(=O)Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H26N4O/c1-4-27(5-2)21-12-10-18(11-13-21)25-20-14-15-24-22(16-20)23(28)26-19-8-6-17(3)7-9-19/h6-16H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyYAFPHVXSUMETIV-UHFFFAOYSA-N
XLogP5.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.23
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-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219281
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109217021
4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219981
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
4-(3-methoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219226

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide (CID 109219248) is 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide is CCN(CC)c1ccc(Nc2ccnc(C(=O)Nc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is YAFPHVXSUMETIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-27(5-2)21-12-10-18(11-13-21)25-20-14-15-24-22(16-20)23(28)26-19-8-6-17(3)7-9-19/h6-16H,4-5H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide?
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).