2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile

C16H25N3O — CID 115505507

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C16H25N3O/c1-11(2)19(12(3)4)7-8-20-16-15(10-17)13(5)9-14(6)18-16/h9,11-12H,7-8H2,1-6H3
InChIKeyIMDIOUJEYJODLZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.07
Rot. Bonds6

About 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile

2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 115505507) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID115505507
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C16H25N3O/c1-11(2)19(12(3)4)7-8-20-16-15(10-17)13(5)9-14(6)18-16/h9,11-12H,7-8H2,1-6H3
InChIKeyIMDIOUJEYJODLZ-UHFFFAOYSA-N
XLogP3.07
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile (CID 115505507) is 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(OCCN(C(C)C)C(C)C)n1.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is IMDIOUJEYJODLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)19(12(3)4)7-8-20-16-15(10-17)13(5)9-14(6)18-16/h9,11-12H,7-8H2,1-6H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile?
2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 275.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 115505507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).