2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile

C12H15N3O — CID 61005449

IUPAC2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
SMILESN#CC(NCC1CCCO1)c1cccnc1
InChIInChI=1S/C12H15N3O/c13-7-12(10-3-1-5-14-8-10)15-9-11-4-2-6-16-11/h1,3,5,8,11-12,15H,2,4,6,9H2
InChIKeyJUCLLWPJASUEIK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.41
Rot. Bonds4

About 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile

2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile (PubChem CID 61005449) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
PubChem CID61005449
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
SMILESN#CC(NCC1CCCO1)c1cccnc1
InChIInChI=1S/C12H15N3O/c13-7-12(10-3-1-5-14-8-10)15-9-11-4-2-6-16-11/h1,3,5,8,11-12,15H,2,4,6,9H2
InChIKeyJUCLLWPJASUEIK-UHFFFAOYSA-N
XLogP1.41
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 60697164
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
2-(3,4-dihydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 54887336
2-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61006052
2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 55062169
2-(4-chloro-3-nitrophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 84817045
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 84817050
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile
CID 64533582
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61346986

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile (CID 61005449) is 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile is N#CC(NCC1CCCO1)c1cccnc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile?
The InChIKey is JUCLLWPJASUEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-7-12(10-3-1-5-14-8-10)15-9-11-4-2-6-16-11/h1,3,5,8,11-12,15H,2,4,6,9H2.
What are the key properties of 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile?
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 61005449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).