N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide

C21H21F3N4O2 — CID 155550674

IUPACN-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2ccc(C)cn12
InChIInChI=1S/C21H21F3N4O2/c1-3-4-10-25-20(30)17-18(26-16-9-8-13(2)12-28(16)17)27-19(29)14-6-5-7-15(11-14)21(22,23)24/h5-9,11-12H,3-4,10H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyKKYZMNSUPXZWRZ-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.44
Rot. Bonds6

About N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide

N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155550674) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155550674
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC NameN-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2ccc(C)cn12
InChIInChI=1S/C21H21F3N4O2/c1-3-4-10-25-20(30)17-18(26-16-9-8-13(2)12-28(16)17)27-19(29)14-6-5-7-15(11-14)21(22,23)24/h5-9,11-12H,3-4,10H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyKKYZMNSUPXZWRZ-UHFFFAOYSA-N
XLogP4.44
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155550674) is N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide is CCCCNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2ccc(C)cn12.
What is the InChIKey of N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KKYZMNSUPXZWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-3-4-10-25-20(30)17-18(26-16-9-8-13(2)12-28(16)17)27-19(29)14-6-5-7-15(11-14)21(22,23)24/h5-9,11-12H,3-4,10H2,1-2H3,(H,25,30)(H,27,29).
What are the key properties of N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155550674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).