(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

C14H16N4O — CID 125444630

IUPAC(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)[C@H]1C=CCN1
InChIInChI=1S/C14H16N4O/c19-14(12-4-3-7-15-12)16-8-6-11-10-18-9-2-1-5-13(18)17-11/h1-5,9-10,12,15H,6-8H2,(H,16,19)/t12-/m1/s1
InChIKeyXHLRCUDLTIZOBC-GFCCVEGCSA-N
MW256.31 g/mol
LogP0.52
Rot. Bonds4

About (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 125444630) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID125444630
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)[C@H]1C=CCN1
InChIInChI=1S/C14H16N4O/c19-14(12-4-3-7-15-12)16-8-6-11-10-18-9-2-1-5-13(18)17-11/h1-5,9-10,12,15H,6-8H2,(H,16,19)/t12-/m1/s1
InChIKeyXHLRCUDLTIZOBC-GFCCVEGCSA-N
XLogP0.52
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-2-carboxamide;dihydrochloride
CID 119840691
cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 31008529
N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 131908976
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(2R)-morpholin-2-yl]acetamide
CID 125163664
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131947453
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25279424
5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid
CID 167894308
formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide
CID 154904325
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 31008557

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 125444630) is (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is O=C(NCCc1cn2ccccc2n1)[C@H]1C=CCN1.
What is the InChIKey of (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is XHLRCUDLTIZOBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(12-4-3-7-15-12)16-8-6-11-10-18-9-2-1-5-13(18)17-11/h1-5,9-10,12,15H,6-8H2,(H,16,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125444630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).