6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile

C18H20N4O — CID 126875911

IUPAC6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cccc(OCC2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C18H20N4O/c1-14-3-2-4-18(21-14)23-13-15-7-9-22(10-8-15)17-6-5-16(11-19)12-20-17/h2-6,12,15H,7-10,13H2,1H3
InChIKeyXGINHYIQKVOILC-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.95
Rot. Bonds4

About 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 126875911) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID126875911
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cccc(OCC2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C18H20N4O/c1-14-3-2-4-18(21-14)23-13-15-7-9-22(10-8-15)17-6-5-16(11-19)12-20-17/h2-6,12,15H,7-10,13H2,1H3
InChIKeyXGINHYIQKVOILC-UHFFFAOYSA-N
XLogP2.95
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 171701933
5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole
CID 171702160
5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 171704384
2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine
CID 171705210
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110757
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
2-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazine
CID 126874169

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile (CID 126875911) is 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile is Cc1cccc(OCC2CCN(c3ccc(C#N)cn3)CC2)n1.
What is the InChIKey of 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XGINHYIQKVOILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14-3-2-4-18(21-14)23-13-15-7-9-22(10-8-15)17-6-5-16(11-19)12-20-17/h2-6,12,15H,7-10,13H2,1H3.
What are the key properties of 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126875911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).