N-methyl-5-nitropyridine-3-carboxamide

C7H7N3O3 — CID 21405292

IUPACN-methyl-5-nitropyridine-3-carboxamide
SMILESCNC(=O)c1cncc([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O3/c1-8-7(11)5-2-6(10(12)13)4-9-3-5/h2-4H,1H3,(H,8,11)
InChIKeyUCRHURGUOPWJDS-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.35
Rot. Bonds2

About N-methyl-5-nitropyridine-3-carboxamide

N-methyl-5-nitropyridine-3-carboxamide (PubChem CID 21405292) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is N-methyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-nitropyridine-3-carboxamide
PubChem CID21405292
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC NameN-methyl-5-nitropyridine-3-carboxamide
SMILESCNC(=O)c1cncc([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O3/c1-8-7(11)5-2-6(10(12)13)4-9-3-5/h2-4H,1H3,(H,8,11)
InChIKeyUCRHURGUOPWJDS-UHFFFAOYSA-N
XLogP0.35
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.35
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

5-amino-N-methylpyridine-3-carboxamide;5-(methylaminomethyl)pyridin-3-amine;N-methyl-5-nitropyridine-3-carboxamide;5-nitropyridine-3-carboxylic acid
CID 160630622
N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 54022575
N-[(4-chlorophenyl)methyl]-5-nitropyridine-3-carboxamide
CID 71400732
N-methyl-5-nitro-N-propylpyridine-3-carboxamide
CID 21405431
N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332
N-acetyl-3,5-dinitrobenzamide
CID 142668942
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
2-(methylcarbamoyl)-4-nitrophenolate
CID 7072316
2-[methyl-[3-(methylcarbamoyl)-5-nitrobenzoyl]amino]acetic acid
CID 121013199
N-(2-ethoxyethyl)-N-ethyl-5-nitropyridine-3-carboxamide
CID 21405335
N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide
CID 127265495
5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide
CID 163232985

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitropyridine-3-carboxamide?
The IUPAC name of N-methyl-5-nitropyridine-3-carboxamide (CID 21405292) is N-methyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-nitropyridine-3-carboxamide is CNC(=O)c1cncc([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-5-nitropyridine-3-carboxamide?
The InChIKey is UCRHURGUOPWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-8-7(11)5-2-6(10(12)13)4-9-3-5/h2-4H,1H3,(H,8,11).
What are the key properties of N-methyl-5-nitropyridine-3-carboxamide?
N-methyl-5-nitropyridine-3-carboxamide has a molecular weight of 181.15 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 21405292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).