N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide

C11H11N3O4 — CID 47266467

IUPACN-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
SMILESCON(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C11H11N3O4/c1-13(18-2)11(15)8-6-7-4-3-5-9(14(16)17)10(7)12-8/h3-6,12H,1-2H3
InChIKeyUKQMZBJAWCXLFN-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.71
Rot. Bonds3

About N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide

N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide (PubChem CID 47266467) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
PubChem CID47266467
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
SMILESCON(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C11H11N3O4/c1-13(18-2)11(15)8-6-7-4-3-5-9(14(16)17)10(7)12-8/h3-6,12H,1-2H3
InChIKeyUKQMZBJAWCXLFN-UHFFFAOYSA-N
XLogP1.71
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.71
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

N-butyl-7-nitro-1H-indole-2-carboxamide
CID 2823660
N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide
CID 51123998
N-methoxy-N-methyl-2-nitrobenzamide
CID 4779158
(8-nitro-2-oxo-1H-quinolin-3-yl) acetate
CID 13419757
2,2,2-trifluoroethyl 7-nitro-1H-indole-2-carboxylate
CID 51087549
ethyl 4-[2,2-dimethoxyethyl-(7-nitro-1H-indole-2-carbonyl)amino]benzoate
CID 169079731
N-carbamimidoyl-N-methyl-7-(2-nitrophenoxy)-1H-indole-2-carboxamide
CID 54045856
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-7-nitro-1H-indole-2-carboxamide
CID 55910139
N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94836383
(4-ethoxypiperidin-1-yl)-(7-nitro-1H-indol-2-yl)methanone
CID 51090848
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-nitro-1H-indole-2-carboxamide
CID 55978903
N-(2-benzylsulfanyl-3-methoxybutyl)-7-nitro-1H-indole-2-carboxamide
CID 70836204

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide (CID 47266467) is N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide is CON(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide?
The InChIKey is UKQMZBJAWCXLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-13(18-2)11(15)8-6-7-4-3-5-9(14(16)17)10(7)12-8/h3-6,12H,1-2H3.
What are the key properties of N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide?
N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 47266467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).