5-nitro-2-(pyrazin-2-ylmethylamino)benzamide

C12H11N5O3 — CID 25161453

IUPAC5-nitro-2-(pyrazin-2-ylmethylamino)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cnccn1
InChIInChI=1S/C12H11N5O3/c13-12(18)10-5-9(17(19)20)1-2-11(10)16-7-8-6-14-3-4-15-8/h1-6,16H,7H2,(H2,13,18)
InChIKeyPNGOOMNEARANOE-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.10
Rot. Bonds5

About 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide

5-nitro-2-(pyrazin-2-ylmethylamino)benzamide (PubChem CID 25161453) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name5-nitro-2-(pyrazin-2-ylmethylamino)benzamide
PubChem CID25161453
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name5-nitro-2-(pyrazin-2-ylmethylamino)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cnccn1
InChIInChI=1S/C12H11N5O3/c13-12(18)10-5-9(17(19)20)1-2-11(10)16-7-8-6-14-3-4-15-8/h1-6,16H,7H2,(H2,13,18)
InChIKeyPNGOOMNEARANOE-UHFFFAOYSA-N
XLogP1.10
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 3-(p-nitrobenzamido)-
CID 83332
5-Nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
CID 2906793
N-(3-acetylphenyl)pyrazine-2-carboxamide
CID 862105
N'-[(2-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazide
CID 3127390
4-Chloro-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide
CID 25161461
4-methyl-3-nitro-N-(pyridin-4-yl)benzamide
CID 871848
2-benzamido-4-nitro-N-pyridin-3-ylbenzamide
CID 1267963
3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 779593
2-(2-Nitro-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809727
2-(3-Nitro-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809728
N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 2843345
2-Nitro-N-4-pyridinylbenzamide
CID 766646

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide?
The IUPAC name of 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide (CID 25161453) is 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide.
What is the SMILES notation for 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide?
The canonical SMILES for 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide is NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cnccn1.
What is the InChIKey of 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide?
The InChIKey is PNGOOMNEARANOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c13-12(18)10-5-9(17(19)20)1-2-11(10)16-7-8-6-14-3-4-15-8/h1-6,16H,7H2,(H2,13,18).
What are the key properties of 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide?
5-nitro-2-(pyrazin-2-ylmethylamino)benzamide has a molecular weight of 273.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(pyrazin-2-ylmethylamino)benzamide is sourced from PubChem (CID 25161453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).