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

C15H20N4O — CID 47359929

IUPAC6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
SMILESCC1CCCCN1C(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C15H20N4O/c1-12-5-3-4-8-19(12)15(20)11-18(2)14-7-6-13(9-16)10-17-14/h6-7,10,12H,3-5,8,11H2,1-2H3
InChIKeyLPPQHJDTPIMAMD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.79
Rot. Bonds3

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

6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile (PubChem CID 47359929) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
PubChem CID47359929
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
SMILESCC1CCCCN1C(=O)CN(C)c1ccc(C#N)cn1
InChIInChI=1S/C15H20N4O/c1-12-5-3-4-8-19(12)15(20)11-18(2)14-7-6-13(9-16)10-17-14/h6-7,10,12H,3-5,8,11H2,1-2H3
InChIKeyLPPQHJDTPIMAMD-UHFFFAOYSA-N
XLogP1.79
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile (CID 47359929) is 6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile is CC1CCCCN1C(=O)CN(C)c1ccc(C#N)cn1.
What is the InChIKey of 6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile?
The InChIKey is LPPQHJDTPIMAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-5-3-4-8-19(12)15(20)11-18(2)14-7-6-13(9-16)10-17-14/h6-7,10,12H,3-5,8,11H2,1-2H3.
What are the key properties of 6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile?
6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 47359929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).