N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide

C14H12BrN3O2 — CID 71854176

IUPACN-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C14H12BrN3O2/c1-9(19)17-11-3-2-4-12(8-11)18-14(20)10-5-6-16-13(15)7-10/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyJYUPCVKKYZYNCL-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.05
Rot. Bonds3

About N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide

N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide (PubChem CID 71854176) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
PubChem CID71854176
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C14H12BrN3O2/c1-9(19)17-11-3-2-4-12(8-11)18-14(20)10-5-6-16-13(15)7-10/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyJYUPCVKKYZYNCL-UHFFFAOYSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.05
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-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
methyl N-[3-[(2-bromopyridine-4-carbonyl)amino]phenyl]carbamate
CID 103752502
2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide
CID 103754216
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
4-N-(4-acetamidophenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091241
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
CID 103754604
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103755964

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide (CID 71854176) is N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccnc(Br)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide?
The InChIKey is JYUPCVKKYZYNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-9(19)17-11-3-2-4-12(8-11)18-14(20)10-5-6-16-13(15)7-10/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide?
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide is sourced from PubChem (CID 71854176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).