N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide

C18H18N4O4 — CID 22162186

IUPACN-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide
SMILESCCC1(CC)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21
InChIInChI=1S/C18H18N4O4/c1-3-18(4-2)12-8-14(20-16(23)11-6-5-7-19-10-11)15(22(25)26)9-13(12)21-17(18)24/h5-10H,3-4H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHLPRJVUDIZUHQC-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.25
Rot. Bonds5

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

N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide (PubChem CID 22162186) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide
PubChem CID22162186
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide
SMILESCCC1(CC)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21
InChIInChI=1S/C18H18N4O4/c1-3-18(4-2)12-8-14(20-16(23)11-6-5-7-19-10-11)15(22(25)26)9-13(12)21-17(18)24/h5-10H,3-4H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHLPRJVUDIZUHQC-UHFFFAOYSA-N
XLogP3.25
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.25
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
N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide
CID 22162132
methyl 5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1,3-dihydroindole-3-carboxylate
CID 22162218
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
N-(3-ethyl-6-nitro-2-sulfanylidene-1,3-dihydroindol-5-yl)pyridine-4-carboxamide
CID 22162316
ethyl 6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1,3-dihydroindole-3-carboxylate
CID 22162262
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide
CID 35150034
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide (CID 22162186) is N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide is CCC1(CC)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21.
What is the InChIKey of N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide?
The InChIKey is HLPRJVUDIZUHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-3-18(4-2)12-8-14(20-16(23)11-6-5-7-19-10-11)15(22(25)26)9-13(12)21-17(18)24/h5-10H,3-4H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide?
N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethyl-6-nitro-2-oxo-1H-indol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 22162186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).