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

C13H11N3O3 — CID 59607131

IUPACN-methyl-4-nitro-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C13H11N3O3/c1-15(12-3-2-8-14-9-12)13(17)10-4-6-11(7-5-10)16(18)19/h2-9H,1H3
InChIKeyJMGDLCDDGMVMBN-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.27
Rot. Bonds3

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

N-methyl-4-nitro-N-pyridin-3-ylbenzamide (PubChem CID 59607131) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-methyl-4-nitro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-methyl-4-nitro-N-pyridin-3-ylbenzamide
PubChem CID59607131
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-methyl-4-nitro-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C13H11N3O3/c1-15(12-3-2-8-14-9-12)13(17)10-4-6-11(7-5-10)16(18)19/h2-9H,1H3
InChIKeyJMGDLCDDGMVMBN-UHFFFAOYSA-N
XLogP2.27
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
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

4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
methyl 4-[methyl-[4-[methyl-[4-[methyl-(4-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 132533381
4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide
CID 59607199
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
6-methoxy-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607054
N-methyl-3-nitro-N-pyrimidin-5-ylbenzamide
CID 69180461
N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide
CID 115549122
N-methyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(3-nitrophenyl)benzamide
CID 84590046
2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
CID 43090842
4-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-pyridin-3-ylbenzamide
CID 59607202
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine
CID 174278087

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-N-pyridin-3-ylbenzamide?
The IUPAC name of N-methyl-4-nitro-N-pyridin-3-ylbenzamide (CID 59607131) is N-methyl-4-nitro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for N-methyl-4-nitro-N-pyridin-3-ylbenzamide?
The canonical SMILES for N-methyl-4-nitro-N-pyridin-3-ylbenzamide is CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1.
What is the InChIKey of N-methyl-4-nitro-N-pyridin-3-ylbenzamide?
The InChIKey is JMGDLCDDGMVMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-15(12-3-2-8-14-9-12)13(17)10-4-6-11(7-5-10)16(18)19/h2-9H,1H3.
What are the key properties of N-methyl-4-nitro-N-pyridin-3-ylbenzamide?
N-methyl-4-nitro-N-pyridin-3-ylbenzamide has a molecular weight of 257.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 59607131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).