N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide

C12H10BrN3O2 — CID 114040041

IUPACN-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H10BrN3O2/c13-7-4-5-9(8(14)6-7)16-12(18)10-2-1-3-11(17)15-10/h1-6H,14H2,(H,15,17)(H,16,18)
InChIKeyLMZDSAQXZKDKMZ-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.97
Rot. Bonds2

About N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide

N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040041) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040041
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC NameN-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H10BrN3O2/c13-7-4-5-9(8(14)6-7)16-12(18)10-2-1-3-11(17)15-10/h1-6H,14H2,(H,15,17)(H,16,18)
InChIKeyLMZDSAQXZKDKMZ-UHFFFAOYSA-N
XLogP1.97
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261598
N-(2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261390
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362899
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
CID 63117458
N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
CID 104614021
N-(2-methoxyphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261599
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
N-(2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362719
N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide
CID 62278188

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide (CID 114040041) is N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide is Nc1cc(Br)ccc1NC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is LMZDSAQXZKDKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-7-4-5-9(8(14)6-7)16-12(18)10-2-1-3-11(17)15-10/h1-6H,14H2,(H,15,17)(H,16,18).
What are the key properties of N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide?
N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 308.14 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).