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

C13H12N4O3 — CID 25161454

IUPAC5-nitro-2-(pyridin-2-ylmethylamino)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccn1
InChIInChI=1S/C13H12N4O3/c14-13(18)11-7-10(17(19)20)4-5-12(11)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2,(H2,14,18)
InChIKeyWHRVUTPLBUMBMW-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.70
Rot. Bonds5

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

5-nitro-2-(pyridin-2-ylmethylamino)benzamide (PubChem CID 25161454) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-nitro-2-(pyridin-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name5-nitro-2-(pyridin-2-ylmethylamino)benzamide
PubChem CID25161454
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name5-nitro-2-(pyridin-2-ylmethylamino)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccn1
InChIInChI=1S/C13H12N4O3/c14-13(18)11-7-10(17(19)20)4-5-12(11)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2,(H2,14,18)
InChIKeyWHRVUTPLBUMBMW-UHFFFAOYSA-N
XLogP1.70
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

CID 83332
CID 83332
CID 676069
CID 676069
CID 5340499
CID 5340499
CID 2906793
CID 2906793
CID 3127390
CID 3127390
CID 771973
CID 771973
CID 5340771
CID 5340771
CID 6893809
CID 6893809
CID 25161461
CID 25161461
CID 730923
CID 730923
CID 871848
CID 871848
CID 3121279
CID 3121279

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(pyridin-2-ylmethylamino)benzamide?
The IUPAC name of 5-nitro-2-(pyridin-2-ylmethylamino)benzamide (CID 25161454) is 5-nitro-2-(pyridin-2-ylmethylamino)benzamide.
What is the SMILES notation for 5-nitro-2-(pyridin-2-ylmethylamino)benzamide?
The canonical SMILES for 5-nitro-2-(pyridin-2-ylmethylamino)benzamide is NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccn1.
What is the InChIKey of 5-nitro-2-(pyridin-2-ylmethylamino)benzamide?
The InChIKey is WHRVUTPLBUMBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-13(18)11-7-10(17(19)20)4-5-12(11)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2,(H2,14,18).
What are the key properties of 5-nitro-2-(pyridin-2-ylmethylamino)benzamide?
5-nitro-2-(pyridin-2-ylmethylamino)benzamide has a molecular weight of 272.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(pyridin-2-ylmethylamino)benzamide is sourced from PubChem (CID 25161454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).