2-(3-nitrophenyl)indolizine-6-carboxamide

C15H11N3O3 — CID 59282825

IUPAC2-(3-nitrophenyl)indolizine-6-carboxamide
SMILESNC(=O)c1ccc2cc(-c3cccc([N+](=O)[O-])c3)cn2c1
InChIInChI=1S/C15H11N3O3/c16-15(19)11-4-5-13-7-12(9-17(13)8-11)10-2-1-3-14(6-10)18(20)21/h1-9H,(H2,16,19)
InChIKeyNVTPXWGDGAWSNY-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.61
Rot. Bonds3

About 2-(3-nitrophenyl)indolizine-6-carboxamide

2-(3-nitrophenyl)indolizine-6-carboxamide (PubChem CID 59282825) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(3-nitrophenyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name2-(3-nitrophenyl)indolizine-6-carboxamide
PubChem CID59282825
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-(3-nitrophenyl)indolizine-6-carboxamide
SMILESNC(=O)c1ccc2cc(-c3cccc([N+](=O)[O-])c3)cn2c1
InChIInChI=1S/C15H11N3O3/c16-15(19)11-4-5-13-7-12(9-17(13)8-11)10-2-1-3-14(6-10)18(20)21/h1-9H,(H2,16,19)
InChIKeyNVTPXWGDGAWSNY-UHFFFAOYSA-N
XLogP2.61
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.61
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'}

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Related Compounds

4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102
benzamide;3-nitrobenzoic acid
CID 139144379
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CID 174540087
1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 58020009
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide
CID 158350856
2-(4-nitrophenyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
CID 155923811
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
acetic acid;4-[5-(3-nitrophenyl)furan-2-yl]benzenecarboximidamide
CID 127027840
3-(5-ethyl-1,2-thiazol-3-yl)aniline;3-nitrobenzamide
CID 160844671
formic acid;1-nitro-3-phenylbenzene
CID 158057338
silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide
CID 165411671

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)indolizine-6-carboxamide?
The IUPAC name of 2-(3-nitrophenyl)indolizine-6-carboxamide (CID 59282825) is 2-(3-nitrophenyl)indolizine-6-carboxamide.
What is the SMILES notation for 2-(3-nitrophenyl)indolizine-6-carboxamide?
The canonical SMILES for 2-(3-nitrophenyl)indolizine-6-carboxamide is NC(=O)c1ccc2cc(-c3cccc([N+](=O)[O-])c3)cn2c1.
What is the InChIKey of 2-(3-nitrophenyl)indolizine-6-carboxamide?
The InChIKey is NVTPXWGDGAWSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-15(19)11-4-5-13-7-12(9-17(13)8-11)10-2-1-3-14(6-10)18(20)21/h1-9H,(H2,16,19).
What are the key properties of 2-(3-nitrophenyl)indolizine-6-carboxamide?
2-(3-nitrophenyl)indolizine-6-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)indolizine-6-carboxamide is sourced from PubChem (CID 59282825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).