3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile

C11H13N3O — CID 116959304

IUPAC3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile
SMILESCNC(c1cccnc1)C1(C#N)COC1
InChIInChI=1S/C11H13N3O/c1-13-10(9-3-2-4-14-5-9)11(6-12)7-15-8-11/h2-5,10,13H,7-8H2,1H3
InChIKeyBJLFOFQMKFKELZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.88
Rot. Bonds3

About 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile

3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile (PubChem CID 116959304) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile
PubChem CID116959304
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile
SMILESCNC(c1cccnc1)C1(C#N)COC1
InChIInChI=1S/C11H13N3O/c1-13-10(9-3-2-4-14-5-9)11(6-12)7-15-8-11/h2-5,10,13H,7-8H2,1H3
InChIKeyBJLFOFQMKFKELZ-UHFFFAOYSA-N
XLogP0.88
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methylamino(pyridin-3-yl)methyl]cyclopropan-1-amine
CID 116961279
2-(methylamino)-2-pyridin-3-ylacetonitrile
CID 43115040
1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
CID 116958624
N-methyl-1-(4-phenyloxan-4-yl)-1-pyridin-3-ylmethanamine
CID 63081349
1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80604094
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116958707
methyl 3-[dimethylamino(pyridin-3-yl)methyl]oxetane-3-carboxylate
CID 116912933
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202

Frequently Asked Questions

What is the IUPAC name of 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile (CID 116959304) is 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile is CNC(c1cccnc1)C1(C#N)COC1.
What is the InChIKey of 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile?
The InChIKey is BJLFOFQMKFKELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13-10(9-3-2-4-14-5-9)11(6-12)7-15-8-11/h2-5,10,13H,7-8H2,1H3.
What are the key properties of 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile?
3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 116959304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).