N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide

C20H19F3N4O2 — CID 155561881

IUPACN-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2ccccn12
InChIInChI=1S/C20H19F3N4O2/c1-2-3-11-24-19(29)16-17(25-15-6-4-5-12-27(15)16)26-18(28)13-7-9-14(10-8-13)20(21,22)23/h4-10,12H,2-3,11H2,1H3,(H,24,29)(H,26,28)
InChIKeyVCNQOECAICTRCP-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.14
Rot. Bonds6

About N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide

N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155561881) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155561881
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2ccccn12
InChIInChI=1S/C20H19F3N4O2/c1-2-3-11-24-19(29)16-17(25-15-6-4-5-12-27(15)16)26-18(28)13-7-9-14(10-8-13)20(21,22)23/h4-10,12H,2-3,11H2,1H3,(H,24,29)(H,26,28)
InChIKeyVCNQOECAICTRCP-UHFFFAOYSA-N
XLogP4.14
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.14
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-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155561881) is N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide is CCCCNC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2ccccn12.
What is the InChIKey of N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VCNQOECAICTRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-2-3-11-24-19(29)16-17(25-15-6-4-5-12-27(15)16)26-18(28)13-7-9-14(10-8-13)20(21,22)23/h4-10,12H,2-3,11H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155561881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).