N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide

C21H16N4O3 — CID 121055658

IUPACN-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H16N4O3/c1-14-5-6-16(19-13-24-11-3-2-4-20(24)22-19)12-18(14)23-21(26)15-7-9-17(10-8-15)25(27)28/h2-13H,1H3,(H,23,26)
InChIKeyRLKZVJRRVPVNKM-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.47
Rot. Bonds4

About N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide

N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide (PubChem CID 121055658) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
PubChem CID121055658
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC NameN-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H16N4O3/c1-14-5-6-16(19-13-24-11-3-2-4-20(24)22-19)12-18(14)23-21(26)15-7-9-17(10-8-15)25(27)28/h2-13H,1H3,(H,23,26)
InChIKeyRLKZVJRRVPVNKM-UHFFFAOYSA-N
XLogP4.47
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-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-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3,4-dimethylbenzamide
CID 121055609
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3-methylbenzamide
CID 121055646
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122283530
(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea
CID 169358367
2-ethyl-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)butanamide
CID 121055624
N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide
CID 24598095
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide
CID 122283536
2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide
CID 122283600
5-(furan-2-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 122283529
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-(trifluoromethoxy)benzamide
CID 122283607
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxyacetamide
CID 121055747
4-(dimethylamino)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide
CID 122323182

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide (CID 121055658) is N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide is Cc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide?
The InChIKey is RLKZVJRRVPVNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-14-5-6-16(19-13-24-11-3-2-4-20(24)22-19)12-18(14)23-21(26)15-7-9-17(10-8-15)25(27)28/h2-13H,1H3,(H,23,26).
What are the key properties of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide?
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide has a molecular weight of 372.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 121055658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).