2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine

C16H22N4 — CID 95839018

IUPAC2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN(C)C2)n1
InChIInChI=1S/C16H22N4/c1-3-15-17-9-11-20(15)16-8-4-7-14(18-16)13-6-5-10-19(2)12-13/h4,7-9,11,13H,3,5-6,10,12H2,1-2H3/t13-/m1/s1
InChIKeyMBVWYFWVKYTOOA-CYBMUJFWSA-N
MW270.38 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine

2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine (PubChem CID 95839018) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
PubChem CID95839018
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN(C)C2)n1
InChIInChI=1S/C16H22N4/c1-3-15-17-9-11-20(15)16-8-4-7-14(18-16)13-6-5-10-19(2)12-13/h4,7-9,11,13H,3,5-6,10,12H2,1-2H3/t13-/m1/s1
InChIKeyMBVWYFWVKYTOOA-CYBMUJFWSA-N
XLogP2.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine (CID 95839018) is 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine is CCc1nccn1-c1cccc([C@@H]2CCCN(C)C2)n1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine?
The InChIKey is MBVWYFWVKYTOOA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-15-17-9-11-20(15)16-8-4-7-14(18-16)13-6-5-10-19(2)12-13/h4,7-9,11,13H,3,5-6,10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine?
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine is sourced from PubChem (CID 95839018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).