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

C20H20F2N4O2 — CID 155555560

IUPACN-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2c(F)cccc2F)nc2ccc(C)cn12
InChIInChI=1S/C20H20F2N4O2/c1-3-4-10-23-20(28)17-18(24-15-9-8-12(2)11-26(15)17)25-19(27)16-13(21)6-5-7-14(16)22/h5-9,11H,3-4,10H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyMMUTXDXSPCPMCR-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.70
Rot. Bonds6

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

N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155555560) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155555560
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC NameN-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2c(F)cccc2F)nc2ccc(C)cn12
InChIInChI=1S/C20H20F2N4O2/c1-3-4-10-23-20(28)17-18(24-15-9-8-12(2)11-26(15)17)25-19(27)16-13(21)6-5-7-14(16)22/h5-9,11H,3-4,10H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyMMUTXDXSPCPMCR-UHFFFAOYSA-N
XLogP3.70
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.70
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-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 155555560) is N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is CCCCNC(=O)c1c(NC(=O)c2c(F)cccc2F)nc2ccc(C)cn12.
What is the InChIKey of N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MMUTXDXSPCPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-3-4-10-23-20(28)17-18(24-15-9-8-12(2)11-26(15)17)25-19(27)16-13(21)6-5-7-14(16)22/h5-9,11H,3-4,10H2,1-2H3,(H,23,28)(H,25,27).
What are the key properties of N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155555560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).