3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile

C11H15N3O — CID 103347709

IUPAC3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile
SMILESCOc1cccc(CNCC(C)C#N)n1
InChIInChI=1S/C11H15N3O/c1-9(6-12)7-13-8-10-4-3-5-11(14-10)15-2/h3-5,9,13H,7-8H2,1-2H3
InChIKeyOQQMAOAYBFHOIC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.34
Rot. Bonds5

About 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile

3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile (PubChem CID 103347709) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile
PubChem CID103347709
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile
SMILESCOc1cccc(CNCC(C)C#N)n1
InChIInChI=1S/C11H15N3O/c1-9(6-12)7-13-8-10-4-3-5-11(14-10)15-2/h3-5,9,13H,7-8H2,1-2H3
InChIKeyOQQMAOAYBFHOIC-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile
CID 62321970
N-[[2-(methoxymethyl)phenyl]methyl]-1-(6-methoxy-2-pyridinyl)methanamine
CID 63985265
3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 103347430
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192
2-methyl-N-[(6-phenylmethoxy-2-pyridinyl)methyl]propan-1-amine
CID 62292446
N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 63984677
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
N-[(1-ethylcyclopropyl)methyl]-1-(6-methoxy-2-pyridinyl)methanamine
CID 103527465
6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
CID 107844830
tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate
CID 103527227

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile (CID 103347709) is 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile is COc1cccc(CNCC(C)C#N)n1.
What is the InChIKey of 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile?
The InChIKey is OQQMAOAYBFHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(6-12)7-13-8-10-4-3-5-11(14-10)15-2/h3-5,9,13H,7-8H2,1-2H3.
What are the key properties of 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile?
3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 103347709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).