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

C19H18F2N4O2 — CID 155559224

IUPACN-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C19H18F2N4O2/c1-2-3-9-22-19(27)16-17(23-15-6-4-5-10-25(15)16)24-18(26)12-7-8-13(20)14(21)11-12/h4-8,10-11H,2-3,9H2,1H3,(H,22,27)(H,24,26)
InChIKeyILLNVTOHNVMYAG-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.39
Rot. Bonds6

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

N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155559224) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155559224
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C19H18F2N4O2/c1-2-3-9-22-19(27)16-17(23-15-6-4-5-10-25(15)16)24-18(26)12-7-8-13(20)14(21)11-12/h4-8,10-11H,2-3,9H2,1H3,(H,22,27)(H,24,26)
InChIKeyILLNVTOHNVMYAG-UHFFFAOYSA-N
XLogP3.39
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.39
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-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155559224) is N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is CCCCNC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)nc2ccccn12.
What is the InChIKey of N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ILLNVTOHNVMYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-2-3-9-22-19(27)16-17(23-15-6-4-5-10-25(15)16)24-18(26)12-7-8-13(20)14(21)11-12/h4-8,10-11H,2-3,9H2,1H3,(H,22,27)(H,24,26).
What are the key properties of N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3,4-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155559224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).