N-benzyl-3-nitro-N-pyridin-2-ylbenzamide

C19H15N3O3 — CID 799327

IUPACN-benzyl-3-nitro-N-pyridin-2-ylbenzamide
SMILESO=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C19H15N3O3/c23-19(16-9-6-10-17(13-16)22(24)25)21(18-11-4-5-12-20-18)14-15-7-2-1-3-8-15/h1-13H,14H2
InChIKeyNTQICUPMHHIXLS-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.84
Rot. Bonds5

About N-benzyl-3-nitro-N-pyridin-2-ylbenzamide

N-benzyl-3-nitro-N-pyridin-2-ylbenzamide (PubChem CID 799327) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-benzyl-3-nitro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-nitro-N-pyridin-2-ylbenzamide
PubChem CID799327
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-benzyl-3-nitro-N-pyridin-2-ylbenzamide
SMILESO=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C19H15N3O3/c23-19(16-9-6-10-17(13-16)22(24)25)21(18-11-4-5-12-20-18)14-15-7-2-1-3-8-15/h1-13H,14H2
InChIKeyNTQICUPMHHIXLS-UHFFFAOYSA-N
XLogP3.84
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.84
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

3-[(2-ethyl-N-(3-nitrobenzoyl)anilino)methyl]benzoic acid
CID 84558839
N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 41110729
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 41116041
N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide
CID 23849426
1-(3-nitrophenyl)-2-[pyridin-2-yl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanone
CID 110830245
N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide
CID 171975433
N-benzyl-3-nitro(11C)benzamide
CID 71606846
2-[carboxymethyl-(3-nitrobenzoyl)amino]acetic acid
CID 63651373
3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35181360

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-nitro-N-pyridin-2-ylbenzamide?
The IUPAC name of N-benzyl-3-nitro-N-pyridin-2-ylbenzamide (CID 799327) is N-benzyl-3-nitro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-benzyl-3-nitro-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-benzyl-3-nitro-N-pyridin-2-ylbenzamide is O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-3-nitro-N-pyridin-2-ylbenzamide?
The InChIKey is NTQICUPMHHIXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-19(16-9-6-10-17(13-16)22(24)25)21(18-11-4-5-12-20-18)14-15-7-2-1-3-8-15/h1-13H,14H2.
What are the key properties of N-benzyl-3-nitro-N-pyridin-2-ylbenzamide?
N-benzyl-3-nitro-N-pyridin-2-ylbenzamide has a molecular weight of 333.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-nitro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 799327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).