N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide

C19H14N4O4 — CID 171345511

IUPACN-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
SMILESCc1cc(-c2cnc3ccccn23)ccc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C19H14N4O4/c1-12-10-13(15-11-20-17-4-2-3-9-22(15)17)5-6-14(12)21-19(24)16-7-8-18(27-16)23(25)26/h2-11H,1H3,(H,21,24)
InChIKeyQRJACQZHOBVARS-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.06
Rot. Bonds4

About N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide

N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 171345511) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID171345511
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC NameN-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
SMILESCc1cc(-c2cnc3ccccn23)ccc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C19H14N4O4/c1-12-10-13(15-11-20-17-4-2-3-9-22(15)17)5-6-14(12)21-19(24)16-7-8-18(27-16)23(25)26/h2-11H,1H3,(H,21,24)
InChIKeyQRJACQZHOBVARS-UHFFFAOYSA-N
XLogP4.06
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide (CID 171345511) is N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide is Cc1cc(-c2cnc3ccccn23)ccc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is QRJACQZHOBVARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c1-12-10-13(15-11-20-17-4-2-3-9-22(15)17)5-6-14(12)21-19(24)16-7-8-18(27-16)23(25)26/h2-11H,1H3,(H,21,24).
What are the key properties of N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide?
N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyridin-3-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 171345511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).