N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide

C15H12N4O3 — CID 171795486

IUPACN-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C15H12N4O3/c1-10-5-6-11(19(21)22)8-12(10)17-15(20)13-9-16-14-4-2-3-7-18(13)14/h2-9H,1H3,(H,17,20)
InChIKeyDBJOBDOYYBIFNC-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.80
Rot. Bonds3

About N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide

N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171795486) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID171795486
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C15H12N4O3/c1-10-5-6-11(19(21)22)8-12(10)17-15(20)13-9-16-14-4-2-3-7-18(13)14/h2-9H,1H3,(H,17,20)
InChIKeyDBJOBDOYYBIFNC-UHFFFAOYSA-N
XLogP2.80
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.80
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'}

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Related Compounds

N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
CID 71280675
N-[5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176617365
aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545364
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
N-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200
N-[2-methyl-5-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281735
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123638257
N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281639
N-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282403
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 171795486) is N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DBJOBDOYYBIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-10-5-6-11(19(21)22)8-12(10)17-15(20)13-9-16-14-4-2-3-7-18(13)14/h2-9H,1H3,(H,17,20).
What are the key properties of N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171795486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).