6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile

C18H20N4 — CID 133392538

IUPAC6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile
SMILESCN(c1cccc(C#N)n1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H20N4/c1-21(18-11-5-7-15(13-19)20-18)17-10-6-12-22(14-17)16-8-3-2-4-9-16/h2-5,7-9,11,17H,6,10,12,14H2,1H3
InChIKeyUKHBAJAYHSCFAZ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.06
Rot. Bonds3

About 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile

6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile (PubChem CID 133392538) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile
PubChem CID133392538
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile
SMILESCN(c1cccc(C#N)n1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H20N4/c1-21(18-11-5-7-15(13-19)20-18)17-10-6-12-22(14-17)16-8-3-2-4-9-16/h2-5,7-9,11,17H,6,10,12,14H2,1H3
InChIKeyUKHBAJAYHSCFAZ-UHFFFAOYSA-N
XLogP3.06
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile (CID 133392538) is 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile is CN(c1cccc(C#N)n1)C1CCCN(c2ccccc2)C1.
What is the InChIKey of 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile?
The InChIKey is UKHBAJAYHSCFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21(18-11-5-7-15(13-19)20-18)17-10-6-12-22(14-17)16-8-3-2-4-9-16/h2-5,7-9,11,17H,6,10,12,14H2,1H3.
What are the key properties of 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile?
6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).