N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide

C11H15N3O4 — CID 47291156

IUPACN-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cc([N+](=O)[O-])cnc1C
InChIInChI=1S/C11H15N3O4/c1-3-18-5-4-12-11(15)10-6-9(14(16)17)7-13-8(10)2/h6-7H,3-5H2,1-2H3,(H,12,15)
InChIKeyPQWJCQCPYYJKMA-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.06
Rot. Bonds6

About N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide

N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide (PubChem CID 47291156) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide
PubChem CID47291156
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cc([N+](=O)[O-])cnc1C
InChIInChI=1S/C11H15N3O4/c1-3-18-5-4-12-11(15)10-6-9(14(16)17)7-13-8(10)2/h6-7H,3-5H2,1-2H3,(H,12,15)
InChIKeyPQWJCQCPYYJKMA-UHFFFAOYSA-N
XLogP1.06
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.06
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

2-[2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526395
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51079802
2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119447877
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
4-methyl-2-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 120528434
4-[4-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 120527428
N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide
CID 21444006
3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide
CID 21405400
N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 109478731
(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 119370336

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide (CID 47291156) is N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide is CCOCCNC(=O)c1cc([N+](=O)[O-])cnc1C.
What is the InChIKey of N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide?
The InChIKey is PQWJCQCPYYJKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-18-5-4-12-11(15)10-6-9(14(16)17)7-13-8(10)2/h6-7H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide?
N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 47291156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).