ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate

C17H14N4O6 — CID 22162262

IUPACethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate
SMILESCCOC(=O)C1C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21
InChIInChI=1S/C17H14N4O6/c1-2-27-17(24)14-10-7-12(20-15(22)9-3-5-18-6-4-9)13(21(25)26)8-11(10)19-16(14)23/h3-8,14H,2H2,1H3,(H,19,23)(H,20,22)
InChIKeyAOLSIAIIYBQQMZ-UHFFFAOYSA-N
MW370.32 g/mol
LogP1.84
Rot. Bonds5

About ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate

ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate (PubChem CID 22162262) has the molecular formula C17H14N4O6 and a molecular weight of 370.32 g/mol. Its IUPAC name is ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate
PubChem CID22162262
Molecular FormulaC17H14N4O6
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC Nameethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate
SMILESCCOC(=O)C1C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21
InChIInChI=1S/C17H14N4O6/c1-2-27-17(24)14-10-7-12(20-15(22)9-3-5-18-6-4-9)13(21(25)26)8-11(10)19-16(14)23/h3-8,14H,2H2,1H3,(H,19,23)(H,20,22)
InChIKeyAOLSIAIIYBQQMZ-UHFFFAOYSA-N
XLogP1.84
TPSA140.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 51.84
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-(3-ethyl-6-nitro-2-sulfanylidene-1,3-dihydroindol-5-yl)pyridine-4-carboxamide
CID 22162316
methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate
CID 22162218
3-nitro-4-(pyridine-4-carbonylamino)benzoic acid
CID 60846267
N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide
CID 22162186
N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide
CID 22162132
ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
CID 7311998
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
4-nitro-2-(pyridine-4-carbonylamino)benzoic acid
CID 63111000
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912666
ethyl 7-chloro-2,4-dioxo-1H-quinoline-3-carboxylate
CID 19736600
N-(2-methoxy-4,5-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776827
2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
CID 110493104

Frequently Asked Questions

What is the IUPAC name of ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate?
The IUPAC name of ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate (CID 22162262) is ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate.
What is the SMILES notation for ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate?
The canonical SMILES for ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate is CCOC(=O)C1C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21.
What is the InChIKey of ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate?
The InChIKey is AOLSIAIIYBQQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O6/c1-2-27-17(24)14-10-7-12(20-15(22)9-3-5-18-6-4-9)13(21(25)26)8-11(10)19-16(14)23/h3-8,14H,2H2,1H3,(H,19,23)(H,20,22).
What are the key properties of ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate?
ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate has a molecular weight of 370.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate is sourced from PubChem (CID 22162262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).