N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide

C13H10ClN3O3 — CID 115627296

IUPACN-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H10ClN3O3/c1-8-2-3-10(17(19)20)7-11(8)13(18)16-12-6-9(14)4-5-15-12/h2-7H,1H3,(H,15,16,18)
InChIKeyMOZVGLJVUURORZ-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.20
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide

N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide (PubChem CID 115627296) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
PubChem CID115627296
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC NameN-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H10ClN3O3/c1-8-2-3-10(17(19)20)7-11(8)13(18)16-12-6-9(14)4-5-15-12/h2-7H,1H3,(H,15,16,18)
InChIKeyMOZVGLJVUURORZ-UHFFFAOYSA-N
XLogP3.20
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.20
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-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide 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-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 79736442
2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 4234801
4-chloro-N-(4-chloro-2-pyridinyl)-2-nitrobenzamide
CID 115626712
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
4-chloro-N-(4-nitro-2-pyridinyl)benzamide
CID 3011452
2-chloro-N-(4-methyl-2-pyridinyl)-3,5-dinitrobenzamide
CID 4629189
N-(6-bromo-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 47363958
N-(4-chloro-2-pyridinyl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 104820971
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
CID 79735970
3-chloro-N-(4-chloro-2-pyridinyl)-4-methylthiophene-2-carboxamide
CID 103407346
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
CID 63936506

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide (CID 115627296) is N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide?
The InChIKey is MOZVGLJVUURORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-8-2-3-10(17(19)20)7-11(8)13(18)16-12-6-9(14)4-5-15-12/h2-7H,1H3,(H,15,16,18).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide?
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide has a molecular weight of 291.69 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 115627296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).