[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate

C20H21N3O3 — CID 7594690

IUPAC[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCC[C@H](NC(=O)COC(=O)c1cn2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-8-16(15-9-4-3-5-10-15)22-19(24)14-26-20(25)17-13-23-12-7-6-11-18(23)21-17/h3-7,9-13,16H,2,8,14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyFMSLASLCODEDOP-INIZCTEOSA-N
MW351.41 g/mol
LogP3.15
Rot. Bonds7

About [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate

[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7594690) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7594690
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCC[C@H](NC(=O)COC(=O)c1cn2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-8-16(15-9-4-3-5-10-15)22-19(24)14-26-20(25)17-13-23-12-7-6-11-18(23)21-17/h3-7,9-13,16H,2,8,14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyFMSLASLCODEDOP-INIZCTEOSA-N
XLogP3.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

1-O-methyl 4-O-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7521657
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-methylbenzoate
CID 7594600
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
[2-oxo-2-(1-phenylbutylamino)ethyl] 2,6-dimethoxybenzoate
CID 55365140
2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoic acid
CID 43630934
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 4-chlorobenzoate
CID 7594546
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7519397
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 7594722
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737801
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721356
[2-oxo-2-(1-phenylbutylamino)ethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 55365796
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-methylfuran-3-carboxylate
CID 7664469

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7594690) is [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate is CCC[C@H](NC(=O)COC(=O)c1cn2ccccc2n1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is FMSLASLCODEDOP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-8-16(15-9-4-3-5-10-15)22-19(24)14-26-20(25)17-13-23-12-7-6-11-18(23)21-17/h3-7,9-13,16H,2,8,14H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate?
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7594690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).