N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide

C8H7Br2N3O2 — CID 131080965

IUPACN-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cnc(Br)c(Br)c1
InChIInChI=1S/C8H7Br2N3O2/c9-5-1-4(2-12-7(5)10)8(15)13-3-6(11)14/h1-2H,3H2,(H2,11,14)(H,13,15)
InChIKeyARRQQORDDNHNAM-UHFFFAOYSA-N
MW336.97 g/mol
LogP0.82
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide (PubChem CID 131080965) has the molecular formula C8H7Br2N3O2 and a molecular weight of 336.97 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide
PubChem CID131080965
Molecular FormulaC8H7Br2N3O2
Molecular Weight336.97 g/mol
Exact Mass334.89
IUPAC NameN-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cnc(Br)c(Br)c1
InChIInChI=1S/C8H7Br2N3O2/c9-5-1-4(2-12-7(5)10)8(15)13-3-6(11)14/h1-2H,3H2,(H2,11,14)(H,13,15)
InChIKeyARRQQORDDNHNAM-UHFFFAOYSA-N
XLogP0.82
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.97
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide (CID 131080965) is N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide is NC(=O)CNC(=O)c1cnc(Br)c(Br)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide?
The InChIKey is ARRQQORDDNHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3O2/c9-5-1-4(2-12-7(5)10)8(15)13-3-6(11)14/h1-2H,3H2,(H2,11,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide has a molecular weight of 336.97 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide is sourced from PubChem (CID 131080965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).