methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate

C16H12N4O6 — CID 22162218

IUPACmethyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate
SMILESCOC(=O)C1C(=O)Nc2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21
InChIInChI=1S/C16H12N4O6/c1-26-16(23)13-9-5-12(20(24)25)11(6-10(9)18-15(13)22)19-14(21)8-3-2-4-17-7-8/h2-7,13H,1H3,(H,18,22)(H,19,21)
InChIKeyAAIDBLDNAIYAIU-UHFFFAOYSA-N
MW356.29 g/mol
LogP1.45
Rot. Bonds4

About methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate

methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate (PubChem CID 22162218) has the molecular formula C16H12N4O6 and a molecular weight of 356.29 g/mol. Its IUPAC name is methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate
PubChem CID22162218
Molecular FormulaC16H12N4O6
Molecular Weight356.29 g/mol
Exact Mass356.08
IUPAC Namemethyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate
SMILESCOC(=O)C1C(=O)Nc2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21
InChIInChI=1S/C16H12N4O6/c1-26-16(23)13-9-5-12(20(24)25)11(6-10(9)18-15(13)22)19-14(21)8-3-2-4-17-7-8/h2-7,13H,1H3,(H,18,22)(H,19,21)
InChIKeyAAIDBLDNAIYAIU-UHFFFAOYSA-N
XLogP1.45
TPSA140.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide
CID 22162132
ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate
CID 22162262
N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide
CID 22162186
N-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide
CID 22162174
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-(3-ethyl-6-nitro-2-sulfanylidene-1,3-dihydroindol-5-yl)pyridine-4-carboxamide
CID 22162316
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
CID 17424246

Frequently Asked Questions

What is the IUPAC name of methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate?
The IUPAC name of methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate (CID 22162218) is methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate.
What is the SMILES notation for methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate?
The canonical SMILES for methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate is COC(=O)C1C(=O)Nc2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21.
What is the InChIKey of methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate?
The InChIKey is AAIDBLDNAIYAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O6/c1-26-16(23)13-9-5-12(20(24)25)11(6-10(9)18-15(13)22)19-14(21)8-3-2-4-17-7-8/h2-7,13H,1H3,(H,18,22)(H,19,21).
What are the key properties of methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate?
methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate has a molecular weight of 356.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate is sourced from PubChem (CID 22162218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).