6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile

C12H14N4O — CID 64587966

IUPAC6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
SMILESCOCCN(CCC#N)c1cccc(C#N)n1
InChIInChI=1S/C12H14N4O/c1-17-9-8-16(7-3-6-13)12-5-2-4-11(10-14)15-12/h2,4-5H,3,7-9H2,1H3
InChIKeyAVSSMMDJQNOVGX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.32
Rot. Bonds6

About 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile

6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile (PubChem CID 64587966) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
PubChem CID64587966
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
SMILESCOCCN(CCC#N)c1cccc(C#N)n1
InChIInChI=1S/C12H14N4O/c1-17-9-8-16(7-3-6-13)12-5-2-4-11(10-14)15-12/h2,4-5H,3,7-9H2,1H3
InChIKeyAVSSMMDJQNOVGX-UHFFFAOYSA-N
XLogP1.32
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile (CID 64587966) is 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile is COCCN(CCC#N)c1cccc(C#N)n1.
What is the InChIKey of 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile?
The InChIKey is AVSSMMDJQNOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-9-8-16(7-3-6-13)12-5-2-4-11(10-14)15-12/h2,4-5H,3,7-9H2,1H3.
What are the key properties of 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile?
6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 64587966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).