N-(2-Amino-6-(2-furyl)-5-nitropyrimidine-4-yl)-6-chloropyridine-3-carboxamide

HCID 21874552

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1nc(NC(=O)c2ccc(Cl)nc2)c([N+](=O)[O-])c(-c2ccco2)n1
InChIKey: QQHNOQIBTQVLTA-UHFFFAOYSA-N
Molecular formula: C14H9ClN6O4
Average molar mass: 360.71 g/mol

Names & identifiers

Preferred name: N-(2-Amino-6-(2-furyl)-5-nitropyrimidine-4-yl)-6-chloropyridine-3-carboxamide
IUPAC: N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]-6-chloropyridine-3-carboxamide

Names & synonyms

SCHEMBL4048792QQHNOQIBTQVLTA-UHFFFAOYSA-NN-(2-Amino-6-(2-furyl)-5-nitropyrimidine-4-yl)-6-chloropyridine-3-carboxamide

Database identifiers

PubChem CID: 21874552

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 153 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 506

Related reactions

8 records

New reaction record

HRID 94184As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 723428As productuspto-grants-2006_11

HRID 723429As reactantuspto-grants-2006_11

HRID 732986As productuspto-grants-2009_09

HRID 732987As reactantuspto-grants-2009_09

HRID 750512As productuspto-grants-2008_07

HRID 750513As reactantuspto-grants-2008_07

HRID 2350295As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…