5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide

C24H28N4O — CID 109242816

IUPAC5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2cncc(C(=O)Nc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C24H28N4O/c1-5-28(6-2)22-11-9-20(10-12-22)26-21-14-19(15-25-16-21)24(29)27-23-13-17(3)7-8-18(23)4/h7-16,26H,5-6H2,1-4H3,(H,27,29)
InChIKeySCBDIXDHDCZBCP-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.54
Rot. Bonds7

About 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide

5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109242816) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109242816
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2cncc(C(=O)Nc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C24H28N4O/c1-5-28(6-2)22-11-9-20(10-12-22)26-21-14-19(15-25-16-21)24(29)27-23-13-17(3)7-8-18(23)4/h7-16,26H,5-6H2,1-4H3,(H,27,29)
InChIKeySCBDIXDHDCZBCP-UHFFFAOYSA-N
XLogP5.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.54
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-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811
N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242872
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242833
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide
CID 109224099
N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242887
N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232722

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide (CID 109242816) is 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide is CCN(CC)c1ccc(Nc2cncc(C(=O)Nc3cc(C)ccc3C)c2)cc1.
What is the InChIKey of 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is SCBDIXDHDCZBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-5-28(6-2)22-11-9-20(10-12-22)26-21-14-19(15-25-16-21)24(29)27-23-13-17(3)7-8-18(23)4/h7-16,26H,5-6H2,1-4H3,(H,27,29).
What are the key properties of 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).