N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide

C14H10N4O4 — CID 22162132

IUPACN-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide
SMILESO=C1Cc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C14H10N4O4/c19-13-5-9-4-12(18(21)22)11(6-10(9)16-13)17-14(20)8-2-1-3-15-7-8/h1-4,6-7H,5H2,(H,16,19)(H,17,20)
InChIKeyRJMGBSMTURJWEE-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.74
Rot. Bonds3

About N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide

N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide (PubChem CID 22162132) has the molecular formula C14H10N4O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide
PubChem CID22162132
Molecular FormulaC14H10N4O4
Molecular Weight298.26 g/mol
Exact Mass298.07
IUPAC NameN-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide
SMILESO=C1Cc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C14H10N4O4/c19-13-5-9-4-12(18(21)22)11(6-10(9)16-13)17-14(20)8-2-1-3-15-7-8/h1-4,6-7H,5H2,(H,16,19)(H,17,20)
InChIKeyRJMGBSMTURJWEE-UHFFFAOYSA-N
XLogP1.74
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
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-(5-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)pyridine-3-carboxamide
CID 22162174
methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate
CID 22162218
N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide
CID 22162186
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
CID 43457490
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-(3-bromo-4-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103874392
N-(4-methyl-3-pyridinyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712374
3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 40805087
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide (CID 22162132) is N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide is O=C1Cc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc2N1.
What is the InChIKey of N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide?
The InChIKey is RJMGBSMTURJWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4/c19-13-5-9-4-12(18(21)22)11(6-10(9)16-13)17-14(20)8-2-1-3-15-7-8/h1-4,6-7H,5H2,(H,16,19)(H,17,20).
What are the key properties of N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide?
N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide has a molecular weight of 298.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 22162132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).