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

C19H17F3N4O2 — CID 155540261

IUPACN-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2c(F)ccc(F)c2F)nc2ccccn12
InChIInChI=1S/C19H17F3N4O2/c1-2-3-9-23-19(28)16-17(24-13-6-4-5-10-26(13)16)25-18(27)14-11(20)7-8-12(21)15(14)22/h4-8,10H,2-3,9H2,1H3,(H,23,28)(H,25,27)
InChIKeyPAWFGKMFIDEQQT-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.53
Rot. Bonds6

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

N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155540261) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155540261
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2c(F)ccc(F)c2F)nc2ccccn12
InChIInChI=1S/C19H17F3N4O2/c1-2-3-9-23-19(28)16-17(24-13-6-4-5-10-26(13)16)25-18(27)14-11(20)7-8-12(21)15(14)22/h4-8,10H,2-3,9H2,1H3,(H,23,28)(H,25,27)
InChIKeyPAWFGKMFIDEQQT-UHFFFAOYSA-N
XLogP3.53
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155540261) is N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is CCCCNC(=O)c1c(NC(=O)c2c(F)ccc(F)c2F)nc2ccccn12.
What is the InChIKey of N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PAWFGKMFIDEQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-2-3-9-23-19(28)16-17(24-13-6-4-5-10-26(13)16)25-18(27)14-11(20)7-8-12(21)15(14)22/h4-8,10H,2-3,9H2,1H3,(H,23,28)(H,25,27).
What are the key properties of N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,3,6-trifluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155540261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).