N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide

C11H16N4O4 — CID 112696061

IUPACN-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide
SMILESCOCCNC(=O)CNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C11H16N4O4/c1-8-5-10(13-6-9(8)15(17)18)14-7-11(16)12-3-4-19-2/h5-6H,3-4,7H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyRYQHOSDOMXPYBB-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.47
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide

N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide (PubChem CID 112696061) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide
PubChem CID112696061
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide
SMILESCOCCNC(=O)CNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C11H16N4O4/c1-8-5-10(13-6-9(8)15(17)18)14-7-11(16)12-3-4-19-2/h5-6H,3-4,7H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyRYQHOSDOMXPYBB-UHFFFAOYSA-N
XLogP0.47
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-methoxy-2,2-dimethylbutyl)-4-methyl-5-nitropyridin-2-amine
CID 104624078
2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
CID 83269694
2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 79457851
5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114919925
N-(2-methoxy-2-methylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 115669177
N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
N-(2-methoxyethyl)-2-(pyrazin-2-ylamino)acetamide
CID 115574127
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 133340342
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide (CID 112696061) is N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide is COCCNC(=O)CNc1cc(C)c([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is RYQHOSDOMXPYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-8-5-10(13-6-9(8)15(17)18)14-7-11(16)12-3-4-19-2/h5-6H,3-4,7H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide?
N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 268.27 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 112696061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).