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

C14H20ClN3O — CID 107059128

IUPAC3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
SMILESCC(C)N(CCOc1nccc(C#N)c1Cl)C(C)C
InChIInChI=1S/C14H20ClN3O/c1-10(2)18(11(3)4)7-8-19-14-13(15)12(9-16)5-6-17-14/h5-6,10-11H,7-8H2,1-4H3
InChIKeyYOFVDHDYHHFISN-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.10
Rot. Bonds6

About 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile

3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile (PubChem CID 107059128) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
PubChem CID107059128
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
SMILESCC(C)N(CCOc1nccc(C#N)c1Cl)C(C)C
InChIInChI=1S/C14H20ClN3O/c1-10(2)18(11(3)4)7-8-19-14-13(15)12(9-16)5-6-17-14/h5-6,10-11H,7-8H2,1-4H3
InChIKeyYOFVDHDYHHFISN-UHFFFAOYSA-N
XLogP3.10
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
CID 107058885
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
CID 115505505
3-chloro-2-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile
CID 107059221
3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 107059108
3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
CID 107058766
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 115505515
3-chloro-2-(furan-2-ylmethoxy)pyridine-4-carbonitrile
CID 107058734
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
CID 107058917
2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
CID 107061678
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 107057272

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile (CID 107059128) is 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile is CC(C)N(CCOc1nccc(C#N)c1Cl)C(C)C.
What is the InChIKey of 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile?
The InChIKey is YOFVDHDYHHFISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10(2)18(11(3)4)7-8-19-14-13(15)12(9-16)5-6-17-14/h5-6,10-11H,7-8H2,1-4H3.
What are the key properties of 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile?
3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile has a molecular weight of 281.79 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 107059128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).