6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile

C17H19N3O — CID 133392747

IUPAC6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1ccc(C2CC(C)CCN2c2cccc(C#N)n2)o1
InChIInChI=1S/C17H19N3O/c1-12-8-9-20(17-5-3-4-14(11-18)19-17)15(10-12)16-7-6-13(2)21-16/h3-7,12,15H,8-10H2,1-2H3
InChIKeyDTGIELZLSHFBIW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.83
Rot. Bonds2

About 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile

6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 133392747) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID133392747
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1ccc(C2CC(C)CCN2c2cccc(C#N)n2)o1
InChIInChI=1S/C17H19N3O/c1-12-8-9-20(17-5-3-4-14(11-18)19-17)15(10-12)16-7-6-13(2)21-16/h3-7,12,15H,8-10H2,1-2H3
InChIKeyDTGIELZLSHFBIW-UHFFFAOYSA-N
XLogP3.83
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine
CID 133332577
6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133332575
4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine
CID 133332585
6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64589835
1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742720
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile
CID 150768660
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane
CID 168909423
6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64589848
6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 64589189
6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 134700083
6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 133392237
4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine
CID 98787488

Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile (CID 133392747) is 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile is Cc1ccc(C2CC(C)CCN2c2cccc(C#N)n2)o1.
What is the InChIKey of 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is DTGIELZLSHFBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-8-9-20(17-5-3-4-14(11-18)19-17)15(10-12)16-7-6-13(2)21-16/h3-7,12,15H,8-10H2,1-2H3.
What are the key properties of 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133392747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).