4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide

C17H19N3O6 — CID 55539218

IUPAC4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(OC)c2)cc1OC
InChIInChI=1S/C17H19N3O6/c1-4-26-15-9-13(20(22)23)12(8-14(15)24-2)17(21)19-10-11-5-6-18-16(7-11)25-3/h5-9H,4,10H2,1-3H3,(H,19,21)
InChIKeyLVNGMGIQEDWQCF-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.34
Rot. Bonds8

About 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide

4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide (PubChem CID 55539218) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide
PubChem CID55539218
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Name4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(OC)c2)cc1OC
InChIInChI=1S/C17H19N3O6/c1-4-26-15-9-13(20(22)23)12(8-14(15)24-2)17(21)19-10-11-5-6-18-16(7-11)25-3/h5-9H,4,10H2,1-3H3,(H,19,21)
InChIKeyLVNGMGIQEDWQCF-UHFFFAOYSA-N
XLogP2.34
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 16962072
5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide
CID 55745361
N-[(3-chlorophenyl)methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 9402079
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 26953131
4-ethoxy-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-5-methoxy-2-nitrobenzamide
CID 55746037
5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 24613247
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
N-(3-aminopropyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119405488
4-ethoxy-5-methoxy-2-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 42044515
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
N-[(4-butoxy-3-methoxyphenyl)methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55706342

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide?
The IUPAC name of 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide (CID 55539218) is 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide?
The canonical SMILES for 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide is CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(OC)c2)cc1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide?
The InChIKey is LVNGMGIQEDWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-4-26-15-9-13(20(22)23)12(8-14(15)24-2)17(21)19-10-11-5-6-18-16(7-11)25-3/h5-9H,4,10H2,1-3H3,(H,19,21).
What are the key properties of 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide?
4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide has a molecular weight of 361.35 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 55539218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).