4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile

C16H23N3O — CID 79156387

IUPAC4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
SMILESCc1ccc(OCCC(C)(C)C#N)c(CNC2CC2)n1
InChIInChI=1S/C16H23N3O/c1-12-4-7-15(20-9-8-16(2,3)11-17)14(19-12)10-18-13-5-6-13/h4,7,13,18H,5-6,8-10H2,1-3H3
InChIKeyYNBNGBNTXKKIML-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.96
Rot. Bonds7

About 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile

4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile (PubChem CID 79156387) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
PubChem CID79156387
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
SMILESCc1ccc(OCCC(C)(C)C#N)c(CNC2CC2)n1
InChIInChI=1S/C16H23N3O/c1-12-4-7-15(20-9-8-16(2,3)11-17)14(19-12)10-18-13-5-6-13/h4,7,13,18H,5-6,8-10H2,1-3H3
InChIKeyYNBNGBNTXKKIML-UHFFFAOYSA-N
XLogP2.96
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile (CID 79156387) is 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile is Cc1ccc(OCCC(C)(C)C#N)c(CNC2CC2)n1.
What is the InChIKey of 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile?
The InChIKey is YNBNGBNTXKKIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-4-7-15(20-9-8-16(2,3)11-17)14(19-12)10-18-13-5-6-13/h4,7,13,18H,5-6,8-10H2,1-3H3.
What are the key properties of 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile?
4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile has a molecular weight of 273.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 79156387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).