N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide

C23H23FN4O4 — CID 67003513

IUPACN-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide
SMILESCCN(C(=O)c1ccc(C(=O)c2cnc3ccc(F)cn23)c([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C23H23FN4O4/c1-2-26(17-6-4-3-5-7-17)23(30)15-8-10-18(19(12-15)28(31)32)22(29)20-13-25-21-11-9-16(24)14-27(20)21/h8-14,17H,2-7H2,1H3
InChIKeyPZGSAGFCSBWBQM-UHFFFAOYSA-N
MW438.46 g/mol
LogP4.41
Rot. Bonds6

About N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide

N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide (PubChem CID 67003513) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide
PubChem CID67003513
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC NameN-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide
SMILESCCN(C(=O)c1ccc(C(=O)c2cnc3ccc(F)cn23)c([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C23H23FN4O4/c1-2-26(17-6-4-3-5-7-17)23(30)15-8-10-18(19(12-15)28(31)32)22(29)20-13-25-21-11-9-16(24)14-27(20)21/h8-14,17H,2-7H2,1H3
InChIKeyPZGSAGFCSBWBQM-UHFFFAOYSA-N
XLogP4.41
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrophenyl]methanone
CID 58522744
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746
N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-methylbenzamide
CID 90775221
N-cyclohexyl-N-ethyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 18204669
N-cyclohexyl-N-ethyl-6-(imidazo[1,2-a]pyridine-3-carbonyl)pyridine-3-carboxamide
CID 46846869
azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone
CID 58522765
N-cyclohexyl-N-ethyl-4-(imidazo[1,2-a]pyrimidine-3-carbonyl)benzamide
CID 46847214
N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
CID 87024573
N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67002914
3-amino-N-cyclopropyl-N-ethyl-4-nitrobenzamide
CID 62683042
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 102861526
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide (CID 67003513) is N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide is CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(F)cn23)c([N+](=O)[O-])c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide?
The InChIKey is PZGSAGFCSBWBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-2-26(17-6-4-3-5-7-17)23(30)15-8-10-18(19(12-15)28(31)32)22(29)20-13-25-21-11-9-16(24)14-27(20)21/h8-14,17H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide?
N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide has a molecular weight of 438.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrobenzamide is sourced from PubChem (CID 67003513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).