5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide

C24H22N4O5 — CID 34075368

IUPAC5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide
SMILESCCOc1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C24H22N4O5/c1-4-33-20-13-17(18(28(30)31)14-19(20)32-3)24(29)26-23-21(16-10-6-5-7-11-16)25-22-15(2)9-8-12-27(22)23/h5-14H,4H2,1-3H3,(H,26,29)
InChIKeyMWUAAMRHJDMIFT-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.88
Rot. Bonds7

About 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide

5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide (PubChem CID 34075368) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide
PubChem CID34075368
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide
SMILESCCOc1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C24H22N4O5/c1-4-33-20-13-17(18(28(30)31)14-19(20)32-3)24(29)26-23-21(16-10-6-5-7-11-16)25-22-15(2)9-8-12-27(22)23/h5-14H,4H2,1-3H3,(H,26,29)
InChIKeyMWUAAMRHJDMIFT-UHFFFAOYSA-N
XLogP4.88
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.88
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-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 34049444
N-(2-benzyl-5-methylpyrazol-3-yl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55551943
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 24548719
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 55688928
2-[(5-ethoxy-4-methoxy-2-nitrobenzoyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55572450
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55466862
4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31907819
4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 18203866
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55555243
4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide
CID 51217068
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
N-(3-acetamido-4-methylphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55746807

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide?
The IUPAC name of 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide (CID 34075368) is 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide?
The canonical SMILES for 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide is CCOc1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide?
The InChIKey is MWUAAMRHJDMIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-4-33-20-13-17(18(28(30)31)14-19(20)32-3)24(29)26-23-21(16-10-6-5-7-11-16)25-22-15(2)9-8-12-27(22)23/h5-14H,4H2,1-3H3,(H,26,29).
What are the key properties of 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide?
5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide has a molecular weight of 446.46 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide is sourced from PubChem (CID 34075368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).