5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile

C14H21N3O — CID 115651922

IUPAC5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile
SMILESCOc1ccc(CNCC(C)(C)CCC#N)cn1
InChIInChI=1S/C14H21N3O/c1-14(2,7-4-8-15)11-16-9-12-5-6-13(18-3)17-10-12/h5-6,10,16H,4,7,9,11H2,1-3H3
InChIKeyJHUFPMYSCBZTEV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds7

About 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile

5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile (PubChem CID 115651922) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile
PubChem CID115651922
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile
SMILESCOc1ccc(CNCC(C)(C)CCC#N)cn1
InChIInChI=1S/C14H21N3O/c1-14(2,7-4-8-15)11-16-9-12-5-6-13(18-3)17-10-12/h5-6,10,16H,4,7,9,11H2,1-3H3
InChIKeyJHUFPMYSCBZTEV-UHFFFAOYSA-N
XLogP2.51
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
CID 104998708
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114936331
4-[3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]phenoxy]butanenitrile
CID 119108900
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114936828
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
CID 114936941
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 114936936
2-tert-butylsulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 105006850
4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202639

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile (CID 115651922) is 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile is COc1ccc(CNCC(C)(C)CCC#N)cn1.
What is the InChIKey of 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile?
The InChIKey is JHUFPMYSCBZTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,7-4-8-15)11-16-9-12-5-6-13(18-3)17-10-12/h5-6,10,16H,4,7,9,11H2,1-3H3.
What are the key properties of 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile?
5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile has a molecular weight of 247.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115651922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).