2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile

C13H14N4O — CID 133462550

IUPAC2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(NCC2CCCO2)nc2ccccn12
InChIInChI=1S/C13H14N4O/c14-8-11-13(15-9-10-4-3-7-18-10)16-12-5-1-2-6-17(11)12/h1-2,5-6,10,15H,3-4,7,9H2
InChIKeyHGMOLQRISAYYCH-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.80
Rot. Bonds3

About 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile

2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 133462550) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID133462550
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(NCC2CCCO2)nc2ccccn12
InChIInChI=1S/C13H14N4O/c14-8-11-13(15-9-10-4-3-7-18-10)16-12-5-1-2-6-17(11)12/h1-2,5-6,10,15H,3-4,7,9H2
InChIKeyHGMOLQRISAYYCH-UHFFFAOYSA-N
XLogP1.80
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 84817050
2-hydrazinyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60812816
(5Z)-5-[[4-oxo-2-[[(2S)-oxolan-2-yl]methylamino]pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1391518
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 75453544
3-methyl-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3146786
3-[[(2R)-oxolan-2-yl]methylamino]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 29072194
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8852996
5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2912897
2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133463226
2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133474557
3-(3-methoxypropyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2891595

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile (CID 133462550) is 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(NCC2CCCO2)nc2ccccn12.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is HGMOLQRISAYYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-8-11-13(15-9-10-4-3-7-18-10)16-12-5-1-2-6-17(11)12/h1-2,5-6,10,15H,3-4,7,9H2.
What are the key properties of 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile?
2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 133462550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).