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

C17H19N3O4 — CID 51090979

IUPACN-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H19N3O4/c1-13-15(7-5-8-16(13)20(22)23)17(21)19(10-11-24-2)12-14-6-3-4-9-18-14/h3-9H,10-12H2,1-2H3
InChIKeyOOAIHEDOOZCVIM-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.59
Rot. Bonds7

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

N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 51090979) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID51090979
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H19N3O4/c1-13-15(7-5-8-16(13)20(22)23)17(21)19(10-11-24-2)12-14-6-3-4-9-18-14/h3-9H,10-12H2,1-2H3
InChIKeyOOAIHEDOOZCVIM-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

2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 43986549
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 43986552
5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60528009
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 55980400
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
5-iodo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
CID 78949460
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717
4-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 61052509

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 51090979) is N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide is COCCN(Cc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is OOAIHEDOOZCVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-13-15(7-5-8-16(13)20(22)23)17(21)19(10-11-24-2)12-14-6-3-4-9-18-14/h3-9H,10-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-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)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 51090979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).