2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide

C16H17N3O4 — CID 4817556

IUPAC2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(OCC(=O)NC(C)c2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C16H17N3O4/c1-11-8-9-14(16(17-11)19(21)22)23-10-15(20)18-12(2)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,18,20)
InChIKeyQDEKEUKMQOFAIX-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.55
Rot. Bonds6

About 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide (PubChem CID 4817556) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
PubChem CID4817556
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(OCC(=O)NC(C)c2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C16H17N3O4/c1-11-8-9-14(16(17-11)19(21)22)23-10-15(20)18-12(2)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,18,20)
InChIKeyQDEKEUKMQOFAIX-UHFFFAOYSA-N
XLogP2.55
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-Methyl-3-[(4-methylbenzyl)oxy]-2-nitropyridine
CID 2800220
1-(4-Benzylpiperidin-1-yl)-2-(2-nitropyridin-3-yl)oxyethanone
CID 3300095
2-[(6-Methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone
CID 3507387
N-(4-fluorophenyl)-2-(2-nitropyridin-3-yl)oxyacetamide
CID 3890773
6-Methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine
CID 3920507
1-(2,6-Dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 4044166
N-(4-chlorophenyl)-2-(6-methyl-2-nitropyridin-3-yl)oxyacetamide
CID 4817106
N-(4-fluorophenyl)-2-(6-methyl-2-nitropyridin-3-yl)oxypropanamide
CID 4817377
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 4818076
N-(2,3-dihydro-1H-inden-5-yl)-2-(6-methyl-2-nitropyridin-3-yl)oxyacetamide
CID 4875313
N-[2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 5694222
N-(1-cyanocyclohexyl)-2-(2-nitropyridin-3-yl)oxyacetamide
CID 16286084

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide (CID 4817556) is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide is Cc1ccc(OCC(=O)NC(C)c2ccccc2)c([N+](=O)[O-])n1.
What is the InChIKey of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide?
The InChIKey is QDEKEUKMQOFAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-8-9-14(16(17-11)19(21)22)23-10-15(20)18-12(2)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide?
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4817556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).