3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide

C23H25FN4O2 — CID 91140271

IUPAC3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide
SMILESNc1cc(C(=O)NCCC2CCCCC2)ccc1C(=O)c1cnc2ccc(F)cn12
InChIInChI=1S/C23H25FN4O2/c24-17-7-9-21-27-13-20(28(21)14-17)22(29)18-8-6-16(12-19(18)25)23(30)26-11-10-15-4-2-1-3-5-15/h6-9,12-15H,1-5,10-11,25H2,(H,26,30)
InChIKeyDBQNLFLNBWEZOR-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.99
Rot. Bonds6

About 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide

3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide (PubChem CID 91140271) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide
PubChem CID91140271
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide
SMILESNc1cc(C(=O)NCCC2CCCCC2)ccc1C(=O)c1cnc2ccc(F)cn12
InChIInChI=1S/C23H25FN4O2/c24-17-7-9-21-27-13-20(28(21)14-17)22(29)18-8-6-16(12-19(18)25)23(30)26-11-10-15-4-2-1-3-5-15/h6-9,12-15H,1-5,10-11,25H2,(H,26,30)
InChIKeyDBQNLFLNBWEZOR-UHFFFAOYSA-N
XLogP3.99
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide?
The IUPAC name of 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide (CID 91140271) is 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide?
The canonical SMILES for 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide is Nc1cc(C(=O)NCCC2CCCCC2)ccc1C(=O)c1cnc2ccc(F)cn12.
What is the InChIKey of 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide?
The InChIKey is DBQNLFLNBWEZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-17-7-9-21-27-13-20(28(21)14-17)22(29)18-8-6-16(12-19(18)25)23(30)26-11-10-15-4-2-1-3-5-15/h6-9,12-15H,1-5,10-11,25H2,(H,26,30).
What are the key properties of 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide?
3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide has a molecular weight of 408.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)benzamide is sourced from PubChem (CID 91140271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).