6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile

C23H24N4O — CID 123513995

IUPAC6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile
SMILESCCOCC(CCc1cccc(C#N)n1)c1cccc(-c2cccc(C)n2)n1
InChIInChI=1S/C23H24N4O/c1-3-28-16-18(13-14-19-8-5-9-20(15-24)26-19)21-10-6-12-23(27-21)22-11-4-7-17(2)25-22/h4-12,18H,3,13-14,16H2,1-2H3
InChIKeyHIGVBBJRAXKOLO-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.47
Rot. Bonds8

About 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile

6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile (PubChem CID 123513995) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile
PubChem CID123513995
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile
SMILESCCOCC(CCc1cccc(C#N)n1)c1cccc(-c2cccc(C)n2)n1
InChIInChI=1S/C23H24N4O/c1-3-28-16-18(13-14-19-8-5-9-20(15-24)26-19)21-10-6-12-23(27-21)22-11-4-7-17(2)25-22/h4-12,18H,3,13-14,16H2,1-2H3
InChIKeyHIGVBBJRAXKOLO-UHFFFAOYSA-N
XLogP4.47
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile
CID 123692334
2-methyl-6-[6-[2-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 14148604
6-(2-cyanoethyl)pyridine-2-carbonitrile
CID 22939408
2-ethoxy-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79574743
2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine
CID 130153092
3-(6-methyl-2-pyridinyl)propanenitrile
CID 14687222
6-(3-hydroxypropyl)pyridine-2-carbonitrile
CID 22939443
2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine
CID 71277471
6-[(dimethylamino)methyl]pyridine-2-carbonitrile
CID 18953890
2-methyl-6-(3-propoxypropyl)pyridine
CID 23516888
6-(2-ethoxyphenyl)pyridine-2-carbonitrile
CID 173380951
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544861

Frequently Asked Questions

What is the IUPAC name of 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile (CID 123513995) is 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile is CCOCC(CCc1cccc(C#N)n1)c1cccc(-c2cccc(C)n2)n1.
What is the InChIKey of 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile?
The InChIKey is HIGVBBJRAXKOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-28-16-18(13-14-19-8-5-9-20(15-24)26-19)21-10-6-12-23(27-21)22-11-4-7-17(2)25-22/h4-12,18H,3,13-14,16H2,1-2H3.
What are the key properties of 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile?
6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile has a molecular weight of 372.47 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-ethoxy-3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]butyl]pyridine-2-carbonitrile is sourced from PubChem (CID 123513995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).