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

C20H19ClN4O — CID 109244637

IUPAC5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H19ClN4O/c1-25(2)19-9-7-17(8-10-19)24-20(26)14-11-18(13-22-12-14)23-16-5-3-15(21)4-6-16/h3-13,23H,1-2H3,(H,24,26)
InChIKeyLWNCPQYCHGXKEL-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.80
Rot. Bonds5

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

5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 109244637) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
PubChem CID109244637
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H19ClN4O/c1-25(2)19-9-7-17(8-10-19)24-20(26)14-11-18(13-22-12-14)23-16-5-3-15(21)4-6-16/h3-13,23H,1-2H3,(H,24,26)
InChIKeyLWNCPQYCHGXKEL-UHFFFAOYSA-N
XLogP4.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.80
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-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
N-(2-chloro-4,6-dimethylphenyl)-5-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109244980
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245994
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585
N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242872
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242174
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (CID 109244637) is 5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is LWNCPQYCHGXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-25(2)19-9-7-17(8-10-19)24-20(26)14-11-18(13-22-12-14)23-16-5-3-15(21)4-6-16/h3-13,23H,1-2H3,(H,24,26).
What are the key properties of 5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109244637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).