5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide

C17H19N3O5 — CID 24540627

IUPAC5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
SMILESCCOc1cc(C(=O)NCCc2ccccn2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H19N3O5/c1-3-25-16-10-13(14(20(22)23)11-15(16)24-2)17(21)19-9-7-12-6-4-5-8-18-12/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,21)
InChIKeyPYKNDMMNHLFGEC-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.37
Rot. Bonds8

About 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide

5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 24540627) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID24540627
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
SMILESCCOc1cc(C(=O)NCCc2ccccn2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H19N3O5/c1-3-25-16-10-13(14(20(22)23)11-15(16)24-2)17(21)19-9-7-12-6-4-5-8-18-12/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,21)
InChIKeyPYKNDMMNHLFGEC-UHFFFAOYSA-N
XLogP2.37
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide
CID 25429884
pyridin-2-ylmethyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 38123406
4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 26644252
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749777
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030
N-(3-aminopropyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119405488
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 55706298
4-ethoxy-5-methoxy-2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34584460
4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide
CID 55539218
N-(2-amino-2-phenylethyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119527730
N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55795890

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide (CID 24540627) is 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide is CCOc1cc(C(=O)NCCc2ccccn2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is PYKNDMMNHLFGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-25-16-10-13(14(20(22)23)11-15(16)24-2)17(21)19-9-7-12-6-4-5-8-18-12/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,21).
What are the key properties of 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide?
5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 345.36 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 24540627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).