3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile

C11H15N3O — CID 62991342

IUPAC3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
SMILESCOc1ccc(CNC(C)CC#N)cn1
InChIInChI=1S/C11H15N3O/c1-9(5-6-12)13-7-10-3-4-11(15-2)14-8-10/h3-4,8-9,13H,5,7H2,1-2H3
InChIKeyUWPJDSBYYZCHTN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.48
Rot. Bonds5

About 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile

3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile (PubChem CID 62991342) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
PubChem CID62991342
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
SMILESCOc1ccc(CNC(C)CC#N)cn1
InChIInChI=1S/C11H15N3O/c1-9(5-6-12)13-7-10-3-4-11(15-2)14-8-10/h3-4,8-9,13H,5,7H2,1-2H3
InChIKeyUWPJDSBYYZCHTN-UHFFFAOYSA-N
XLogP1.48
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
CID 62989925
3-[(6-methyl-3-pyridinyl)methylamino]butanenitrile
CID 62996928
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
CID 115708547
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43770459
N-[(6-methoxy-3-pyridinyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43206302
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile (CID 62991342) is 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile is COc1ccc(CNC(C)CC#N)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile?
The InChIKey is UWPJDSBYYZCHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(5-6-12)13-7-10-3-4-11(15-2)14-8-10/h3-4,8-9,13H,5,7H2,1-2H3.
What are the key properties of 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile?
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile is sourced from PubChem (CID 62991342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).