5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide

C14H13N3O4 — CID 102741309

IUPAC5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c18-11-1-2-13(17(20)21)12(9-11)14(19)16-8-5-10-3-6-15-7-4-10/h1-4,6-7,9,18H,5,8H2,(H,16,19)
InChIKeyDCSBOZVCBNXGHM-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.67
Rot. Bonds5

About 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide

5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 102741309) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID102741309
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c18-11-1-2-13(17(20)21)12(9-11)14(19)16-8-5-10-3-6-15-7-4-10/h1-4,6-7,9,18H,5,8H2,(H,16,19)
InChIKeyDCSBOZVCBNXGHM-UHFFFAOYSA-N
XLogP1.67
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.67
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

N-but-3-ynyl-5-hydroxy-2-nitrobenzamide
CID 102741872
N-(3,3-dimethylbutyl)-5-hydroxy-2-nitrobenzamide
CID 107076627
5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 102741327
5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 102741166
2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 60902986
5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 60913756
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
N-[3-(dimethylamino)propyl]-5-hydroxy-2-nitrobenzamide
CID 102740857
ethyl 3-[(5-hydroxy-2-nitrobenzoyl)amino]propanoate
CID 99798720
N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide
CID 107076548
ethyl 4-[(5-hydroxy-2-nitrobenzoyl)amino]butanoate
CID 107076096
5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide (CID 102741309) is 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide is O=C(NCCc1ccncc1)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is DCSBOZVCBNXGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-11-1-2-13(17(20)21)12(9-11)14(19)16-8-5-10-3-6-15-7-4-10/h1-4,6-7,9,18H,5,8H2,(H,16,19).
What are the key properties of 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide?
5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 287.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 102741309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).