2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile

C21H26N4O — CID 53370417

IUPAC2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(NCCO)nc(N2CCC(Cc3ccccc3)CC2)c1C#N
InChIInChI=1S/C21H26N4O/c1-16-13-20(23-9-12-26)24-21(19(16)15-22)25-10-7-18(8-11-25)14-17-5-3-2-4-6-17/h2-6,13,18,26H,7-12,14H2,1H3,(H,23,24)
InChIKeyFMSNMENCWIFQRA-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.12
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile

2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile (PubChem CID 53370417) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile
PubChem CID53370417
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(NCCO)nc(N2CCC(Cc3ccccc3)CC2)c1C#N
InChIInChI=1S/C21H26N4O/c1-16-13-20(23-9-12-26)24-21(19(16)15-22)25-10-7-18(8-11-25)14-17-5-3-2-4-6-17/h2-6,13,18,26H,7-12,14H2,1H3,(H,23,24)
InChIKeyFMSNMENCWIFQRA-UHFFFAOYSA-N
XLogP3.12
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile (CID 53370417) is 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile is Cc1cc(NCCO)nc(N2CCC(Cc3ccccc3)CC2)c1C#N.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile?
The InChIKey is FMSNMENCWIFQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-13-20(23-9-12-26)24-21(19(16)15-22)25-10-7-18(8-11-25)14-17-5-3-2-4-6-17/h2-6,13,18,26H,7-12,14H2,1H3,(H,23,24).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile?
2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile has a molecular weight of 350.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-6-(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 53370417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).