2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide

C13H11BrClN3O — CID 62871680

IUPAC2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)nc(Cl)c2)cc1Br
InChIInChI=1S/C13H11BrClN3O/c1-7-2-3-9(6-10(7)14)17-13(19)8-4-11(15)18-12(16)5-8/h2-6H,1H3,(H2,16,18)(H,17,19)
InChIKeyHXJDUOFBRZVYGL-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.64
Rot. Bonds2

About 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide

2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide (PubChem CID 62871680) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide
PubChem CID62871680
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)nc(Cl)c2)cc1Br
InChIInChI=1S/C13H11BrClN3O/c1-7-2-3-9(6-10(7)14)17-13(19)8-4-11(15)18-12(16)5-8/h2-6H,1H3,(H2,16,18)(H,17,19)
InChIKeyHXJDUOFBRZVYGL-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62156439
2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide
CID 62153244
2-amino-N-(5-bromo-2-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62159768
2-amino-6-chloro-N-(3-iodophenyl)pyridine-4-carboxamide
CID 62154226
2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide
CID 26781715
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide
CID 81275531
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
2-amino-N-(4-bromo-2,6-dichlorophenyl)-6-chloropyridine-4-carboxamide
CID 62155953
2-amino-6-chloro-N-(2,5-difluoro-4-methylphenyl)pyridine-4-carboxamide
CID 103587247
2-amino-6-chloro-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 62872287

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide (CID 62871680) is 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(N)nc(Cl)c2)cc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide?
The InChIKey is HXJDUOFBRZVYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-7-2-3-9(6-10(7)14)17-13(19)8-4-11(15)18-12(16)5-8/h2-6H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide?
2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide is sourced from PubChem (CID 62871680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).