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

C16H25N3O — CID 115505514

IUPAC4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(OCCN(C(C)C)C(C)C)c(C#N)c(C)n1
InChIInChI=1S/C16H25N3O/c1-11(2)19(12(3)4)7-8-20-16-9-13(5)18-14(6)15(16)10-17/h9,11-12H,7-8H2,1-6H3
InChIKeyJRKSUOVBMPPRGN-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.07
Rot. Bonds6

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

4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 115505514) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID115505514
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(OCCN(C(C)C)C(C)C)c(C#N)c(C)n1
InChIInChI=1S/C16H25N3O/c1-11(2)19(12(3)4)7-8-20-16-9-13(5)18-14(6)15(16)10-17/h9,11-12H,7-8H2,1-6H3
InChIKeyJRKSUOVBMPPRGN-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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Related Compounds

Pyridine, 2-(2-diethylaminoethoxy)-4,6-dimethyl-, hydrochloride
CID 3057785
N,N-dimethyl-2-[2-propan-2-yl-3-(trifluoromethyl)pyridin-4-yl]oxyethanamine
CID 58439680
6-Methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonitrile
CID 59570387
6-Methyl-4-(2,2,2-trifluoro-1-methylethoxy)pyridine-2-carbonitrile
CID 59570393
6-methyl-4-[2-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile
CID 71523437
3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carbonitrile
CID 72209955
6-Methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile
CID 78097484
5-Cyclopropyl-4-(2-fluoro-1-methyl-ethoxy)pyridine-2-carbonitrile
CID 90203294
5-Cyclopropyl-4-(2-fluoroethoxy)pyridine-2-carbonitrile
CID 90203478
4-Propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 91130364
N,N-dimethyl-2-[[2-methyl-3-(trifluoromethyl)-4-pyridinyl]oxy]ethanamine
CID 144155254
2-Methyl-4-(1-methylpiperidin-3-yl)oxy-6-(trifluoromethyl)pyridine
CID 146286000

Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile (CID 115505514) is 4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(OCCN(C(C)C)C(C)C)c(C#N)c(C)n1.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is JRKSUOVBMPPRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)19(12(3)4)7-8-20-16-9-13(5)18-14(6)15(16)10-17/h9,11-12H,7-8H2,1-6H3.
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile?
4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-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 4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 115505514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).