2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile

C14H21N3O — CID 115505515

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
SMILESCC(C)N(CCOc1cc(C#N)ccn1)C(C)C
InChIInChI=1S/C14H21N3O/c1-11(2)17(12(3)4)7-8-18-14-9-13(10-15)5-6-16-14/h5-6,9,11-12H,7-8H2,1-4H3
InChIKeyREVCUFVMCFFTMZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds6

About 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile

2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile (PubChem CID 115505515) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
PubChem CID115505515
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
SMILESCC(C)N(CCOc1cc(C#N)ccn1)C(C)C
InChIInChI=1S/C14H21N3O/c1-11(2)17(12(3)4)7-8-18-14-9-13(10-15)5-6-16-14/h5-6,9,11-12H,7-8H2,1-4H3
InChIKeyREVCUFVMCFFTMZ-UHFFFAOYSA-N
XLogP2.45
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
CID 62348007
N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505619
2-(2-propoxyethoxy)pyridine-4-carbonitrile
CID 63686937
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505427
N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505644
5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
CID 115505498
2-(2-phenylmethoxyethoxy)pyridine-4-carbonitrile
CID 59652124
2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile
CID 69247549
3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 107059128
5-amino-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carbonitrile
CID 103469781
3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
CID 115505505
2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 62642744

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile (CID 115505515) is 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile is CC(C)N(CCOc1cc(C#N)ccn1)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile?
The InChIKey is REVCUFVMCFFTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)17(12(3)4)7-8-18-14-9-13(10-15)5-6-16-14/h5-6,9,11-12H,7-8H2,1-4H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile?
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 2.45, 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]pyridine-4-carbonitrile is sourced from PubChem (CID 115505515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).