2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

C21H23FN4O2 — CID 155541431

IUPAC2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(F)ccc3C)c(C(=O)NCC(C)C)n2c1
InChIInChI=1S/C21H23FN4O2/c1-12(2)10-23-21(28)18-19(24-17-8-5-13(3)11-26(17)18)25-20(27)16-9-15(22)7-6-14(16)4/h5-9,11-12H,10H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyCYIKVAVEEPPSEK-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.73
Rot. Bonds5

About 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155541431) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155541431
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(F)ccc3C)c(C(=O)NCC(C)C)n2c1
InChIInChI=1S/C21H23FN4O2/c1-12(2)10-23-21(28)18-19(24-17-8-5-13(3)11-26(17)18)25-20(27)16-9-15(22)7-6-14(16)4/h5-9,11-12H,10H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyCYIKVAVEEPPSEK-UHFFFAOYSA-N
XLogP3.73
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylbenzoyl)amino]-6-methyl-N-propylimidazo[1,2-a]pyridine-3-carboxamide
CID 155544729
N-(2-hydroxypropyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84556352
2-[(2,4-difluorobenzoyl)amino]-N-propylimidazo[1,2-a]pyridine-3-carboxamide
CID 155539275
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
CID 114302810
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
4-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80538483
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
6-(3-fluorophenyl)-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876493
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,5-dimethylbenzamide
CID 19409217
N-(1-chloro-3-methylbutan-2-yl)-5-fluoro-2-methylbenzamide
CID 114305601

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 155541431) is 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(NC(=O)c3cc(F)ccc3C)c(C(=O)NCC(C)C)n2c1.
What is the InChIKey of 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CYIKVAVEEPPSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-12(2)10-23-21(28)18-19(24-17-8-5-13(3)11-26(17)18)25-20(27)16-9-15(22)7-6-14(16)4/h5-9,11-12H,10H2,1-4H3,(H,23,28)(H,25,27).
What are the key properties of 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155541431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).