N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide

C9H11N3O4 — CID 54022575

IUPACN-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O4/c1-16-3-2-11-9(13)7-4-8(12(14)15)6-10-5-7/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyKZYGHRFWSSDVDS-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.37
Rot. Bonds5

About N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide

N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide (PubChem CID 54022575) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
PubChem CID54022575
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O4/c1-16-3-2-11-9(13)7-4-8(12(14)15)6-10-5-7/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyKZYGHRFWSSDVDS-UHFFFAOYSA-N
XLogP0.37
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methyl-5-nitropyridine-3-carboxamide
CID 21405292
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
N-[(4-chlorophenyl)methyl]-5-nitropyridine-3-carboxamide
CID 71400732
N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224153
N-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
CID 4600343
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 17218194
5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493
5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103485
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
N-[3-[(3,5-dinitrobenzoyl)amino]propyl]-3,5-dinitrobenzamide
CID 4148153

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide (CID 54022575) is N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide is COCCNC(=O)c1cncc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide?
The InChIKey is KZYGHRFWSSDVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-16-3-2-11-9(13)7-4-8(12(14)15)6-10-5-7/h4-6H,2-3H2,1H3,(H,11,13).
What are the key properties of N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide?
N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide has a molecular weight of 225.20 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 54022575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).