3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide

C19H15N3O3 — CID 70867896

IUPAC3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H15N3O3/c23-19(21-17-5-2-10-20-13-17)16-4-1-3-15(12-16)11-14-6-8-18(9-7-14)22(24)25/h1-10,12-13H,11H2,(H,21,23)
InChIKeyQVNYYILLHZUKMH-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.83
Rot. Bonds5

About 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide

3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide (PubChem CID 70867896) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide
PubChem CID70867896
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H15N3O3/c23-19(21-17-5-2-10-20-13-17)16-4-1-3-15(12-16)11-14-6-8-18(9-7-14)22(24)25/h1-10,12-13H,11H2,(H,21,23)
InChIKeyQVNYYILLHZUKMH-UHFFFAOYSA-N
XLogP3.83
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.83
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

1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26591854
(4-nitrophenyl)methyl N-pyridin-3-ylcarbamate
CID 67585482
N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide
CID 70867899
methyl 3-[(4-nitrophenyl)methyl]benzoate
CID 58869357
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560
4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
CID 43215734
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
6-(4-nitrophenoxy)-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607215
6-(4-nitrophenyl)sulfanyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607062
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide (CID 70867896) is 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cccc(Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is QVNYYILLHZUKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-19(21-17-5-2-10-20-13-17)16-4-1-3-15(12-16)11-14-6-8-18(9-7-14)22(24)25/h1-10,12-13H,11H2,(H,21,23).
What are the key properties of 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide?
3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 333.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 70867896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).