5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid

C17H22N4O3 — CID 167894308

IUPAC5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid
SMILESCN1CC(C(=O)NCCc2cn3ccccc3n2)CCC1C(=O)O
InChIInChI=1S/C17H22N4O3/c1-20-10-12(5-6-14(20)17(23)24)16(22)18-8-7-13-11-21-9-3-2-4-15(21)19-13/h2-4,9,11-12,14H,5-8,10H2,1H3,(H,18,22)(H,23,24)
InChIKeyFMCFHUPGNGQSST-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.79
Rot. Bonds5

About 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid

5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid (PubChem CID 167894308) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid
PubChem CID167894308
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid
SMILESCN1CC(C(=O)NCCc2cn3ccccc3n2)CCC1C(=O)O
InChIInChI=1S/C17H22N4O3/c1-20-10-12(5-6-14(20)17(23)24)16(22)18-8-7-13-11-21-9-3-2-4-15(21)19-13/h2-4,9,11-12,14H,5-8,10H2,1H3,(H,18,22)(H,23,24)
InChIKeyFMCFHUPGNGQSST-UHFFFAOYSA-N
XLogP0.79
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)naphthalene-2-carboxamide
CID 25430851
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide
CID 154904325
(3R)-1-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29330277
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25279424
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 31008557
(2E,4E)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)hexa-2,4-dienamide
CID 32831562
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936
4-(hydroxymethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperidine-1-carboxamide
CID 110895574
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444630
1-cyclopropyl-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 79417170
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131947453

Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid?
The IUPAC name of 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid (CID 167894308) is 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid is CN1CC(C(=O)NCCc2cn3ccccc3n2)CCC1C(=O)O.
What is the InChIKey of 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid?
The InChIKey is FMCFHUPGNGQSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20-10-12(5-6-14(20)17(23)24)16(22)18-8-7-13-11-21-9-3-2-4-15(21)19-13/h2-4,9,11-12,14H,5-8,10H2,1H3,(H,18,22)(H,23,24).
What are the key properties of 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid?
5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 167894308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).