2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile

C15H18N4O — CID 84817050

IUPAC2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
SMILESCc1nc2ccccn2c1C(C#N)NCC1CCCO1
InChIInChI=1S/C15H18N4O/c1-11-15(19-7-3-2-6-14(19)18-11)13(9-16)17-10-12-5-4-8-20-12/h2-3,6-7,12-13,17H,4-5,8,10H2,1H3
InChIKeyUDUPUAUFBAIIIK-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.98
Rot. Bonds4

About 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile (PubChem CID 84817050) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
PubChem CID84817050
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
SMILESCc1nc2ccccn2c1C(C#N)NCC1CCCO1
InChIInChI=1S/C15H18N4O/c1-11-15(19-7-3-2-6-14(19)18-11)13(9-16)17-10-12-5-4-8-20-12/h2-3,6-7,12-13,17H,4-5,8,10H2,1H3
InChIKeyUDUPUAUFBAIIIK-UHFFFAOYSA-N
XLogP1.98
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462550
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 60697164
2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 55062169
2-(3,4-dihydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 54887336
2-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61006052
N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432564
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 83089110
2-hydrazinyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60812816
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61346986
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432563

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile (CID 84817050) is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile is Cc1nc2ccccn2c1C(C#N)NCC1CCCO1.
What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile?
The InChIKey is UDUPUAUFBAIIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-15(19-7-3-2-6-14(19)18-11)13(9-16)17-10-12-5-4-8-20-12/h2-3,6-7,12-13,17H,4-5,8,10H2,1H3.
What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile?
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 84817050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).