4-methyl-3-nitro-N-pyridin-4-ylbenzamide

C13H11N3O3 — CID 871848

IUPAC4-methyl-3-nitro-N-pyridin-4-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O3/c1-9-2-3-10(8-12(9)16(18)19)13(17)15-11-4-6-14-7-5-11/h2-8H,1H3,(H,14,15,17)
InChIKeyVBDDFKVGGUGTEN-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.55
Rot. Bonds3

About 4-methyl-3-nitro-N-pyridin-4-ylbenzamide

4-methyl-3-nitro-N-pyridin-4-ylbenzamide (PubChem CID 871848) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-pyridin-4-ylbenzamide
PubChem CID871848
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name4-methyl-3-nitro-N-pyridin-4-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O3/c1-9-2-3-10(8-12(9)16(18)19)13(17)15-11-4-6-14-7-5-11/h2-8H,1H3,(H,14,15,17)
InChIKeyVBDDFKVGGUGTEN-UHFFFAOYSA-N
XLogP2.55
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-Chloro-5-nitro-N-4-pyridinylbenzamide
CID 2777391
N-(4-pyridyl)benzamide
CID 78893
4-Pyridinecarboxylic (3-nitrobenzylidene)hydrazide
CID 6870302
Pyridine, 3-(p-nitrobenzamido)-
CID 83332
4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 676069
3-nitro-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide
CID 5340499
2-Nitrobenzaldehyde isonicotinoyl hydrazone
CID 6862522
4-Methyl-N-4-pyridinylbenzamide
CID 84517
5-Nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
CID 2906793
WF-536 Hydrochloride
CID 9860439
3,5-dimethyl-N-pyridin-4-ylbenzamide
CID 912558
4-acetamido-N-(pyridin-3-ylmethyl)benzamide
CID 669478

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-methyl-3-nitro-N-pyridin-4-ylbenzamide (CID 871848) is 4-methyl-3-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-methyl-3-nitro-N-pyridin-4-ylbenzamide is Cc1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is VBDDFKVGGUGTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-9-2-3-10(8-12(9)16(18)19)13(17)15-11-4-6-14-7-5-11/h2-8H,1H3,(H,14,15,17).
What are the key properties of 4-methyl-3-nitro-N-pyridin-4-ylbenzamide?
4-methyl-3-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 257.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 871848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).