N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide

C17H19N3O4 — CID 121085114

IUPACN-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H19N3O4/c1-13-11-15(3-4-16(13)20(22)23)17(21)19(9-10-24-2)12-14-5-7-18-8-6-14/h3-8,11H,9-10,12H2,1-2H3
InChIKeyHSKUEXRRYVBMHJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.59
Rot. Bonds7

About N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide

N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 121085114) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide
PubChem CID121085114
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H19N3O4/c1-13-11-15(3-4-16(13)20(22)23)17(21)19(9-10-24-2)12-14-5-7-18-8-6-14/h3-8,11H,9-10,12H2,1-2H3
InChIKeyHSKUEXRRYVBMHJ-UHFFFAOYSA-N
XLogP2.59
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
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

4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 52906834
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide
CID 4141373
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 46988777
2-[(4-imidazol-1-yl-3-nitrobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348205
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propylbenzamide
CID 60656043
N-benzyl-N,3-dimethyl-4-nitrobenzamide
CID 786991
3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085266
4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 17438424
N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-nitrobenzamide
CID 8964575
N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)-4-nitrobenzamide
CID 103725271

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide (CID 121085114) is N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide is COCCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is HSKUEXRRYVBMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-13-11-15(3-4-16(13)20(22)23)17(21)19(9-10-24-2)12-14-5-7-18-8-6-14/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide?
N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 121085114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).