5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide

C19H20N4O5 — CID 25429884

IUPAC5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)NCCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H20N4O5/c1-3-28-17-10-14(15(23(25)26)11-16(17)27-2)19(24)20-8-7-13-12-22-9-5-4-6-18(22)21-13/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,24)
InChIKeyUCUSVVZQVXBBJP-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.62
Rot. Bonds8

About 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide

5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide (PubChem CID 25429884) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound Name5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide
PubChem CID25429884
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)NCCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H20N4O5/c1-3-28-17-10-14(15(23(25)26)11-16(17)27-2)19(24)20-8-7-13-12-22-9-5-4-6-18(22)21-13/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,24)
InChIKeyUCUSVVZQVXBBJP-UHFFFAOYSA-N
XLogP2.62
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.62
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-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 24540627
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitrobenzamide
CID 25429006
4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 26644252
5-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methoxybenzamide
CID 32837177
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 46516372
4-ethoxy-5-methoxy-2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34584460
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
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
CID 31686010
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethoxybenzamide
CID 41463533

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide?
The IUPAC name of 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide (CID 25429884) is 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide?
The canonical SMILES for 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide is CCOc1cc(C(=O)NCCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide?
The InChIKey is UCUSVVZQVXBBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-3-28-17-10-14(15(23(25)26)11-16(17)27-2)19(24)20-8-7-13-12-22-9-5-4-6-18(22)21-13/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,24).
What are the key properties of 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide?
5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide has a molecular weight of 384.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 25429884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).