N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide

C19H15N3O3 — CID 139221982

IUPACN-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide
SMILESCc1nc(-c2ccccc2)c([N+](=O)[O-])cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H15N3O3/c1-13-16(21-19(23)15-10-6-3-7-11-15)12-17(22(24)25)18(20-13)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,23)
InChIKeyFXUDREDYBMCIIU-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.22
Rot. Bonds4

About N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide

N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide (PubChem CID 139221982) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide
PubChem CID139221982
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide
SMILESCc1nc(-c2ccccc2)c([N+](=O)[O-])cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H15N3O3/c1-13-16(21-19(23)15-10-6-3-7-11-15)12-17(22(24)25)18(20-13)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,23)
InChIKeyFXUDREDYBMCIIU-UHFFFAOYSA-N
XLogP4.22
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.22
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'}

Analyze N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-dimethyl-2-nitrophenyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 5262009
N-(1,2,6-trimethyl-5-nitropyridin-1-ium-3-yl)benzamide
CID 139221977
N-(2,3-dimethyl-4-nitrophenyl)benzamide
CID 156690206
N-(4-iodo-2-nitrophenyl)benzamide
CID 177460424
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
N-(7-methyl-4-nitro-1,3-benzothiazol-2-yl)benzamide
CID 22015740
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
N-(3-amino-4-nitrophenyl)benzamide
CID 3685591
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-nitrophenyl)benzamide
CID 108796487
N-(6-nitro-1,3-benzodioxol-5-yl)benzamide
CID 60703620
3,5-dinitro-2-phenylpyridine
CID 14948543

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide?
The IUPAC name of N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide (CID 139221982) is N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide.
What is the SMILES notation for N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide?
The canonical SMILES for N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide is Cc1nc(-c2ccccc2)c([N+](=O)[O-])cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide?
The InChIKey is FXUDREDYBMCIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-13-16(21-19(23)15-10-6-3-7-11-15)12-17(22(24)25)18(20-13)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,23).
What are the key properties of N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide?
N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide has a molecular weight of 333.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide is sourced from PubChem (CID 139221982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).