N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide

C17H19Cl2N3O — CID 109217686

IUPACN-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H19Cl2N3O/c1-2-3-4-6-20-14-5-7-21-16(11-14)17(23)22-15-9-12(18)8-13(19)10-15/h5,7-11H,2-4,6H2,1H3,(H,20,21)(H,22,23)
InChIKeyXARQXJGUAPGEKT-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.24
Rot. Bonds7

About N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide

N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide (PubChem CID 109217686) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide
PubChem CID109217686
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC NameN-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H19Cl2N3O/c1-2-3-4-6-20-14-5-7-21-16(11-14)17(23)22-15-9-12(18)8-13(19)10-15/h5,7-11H,2-4,6H2,1H3,(H,20,21)(H,22,23)
InChIKeyXARQXJGUAPGEKT-UHFFFAOYSA-N
XLogP5.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.27
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62172602
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107370428
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
CID 109202795
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207365
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide (CID 109217686) is N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide?
The InChIKey is XARQXJGUAPGEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-2-3-4-6-20-14-5-7-21-16(11-14)17(23)22-15-9-12(18)8-13(19)10-15/h5,7-11H,2-4,6H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide?
N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109217686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).