6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile

C14H17N3O2 — CID 102677644

IUPAC6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
SMILESCOC1CN(C(=O)c2ccc(C#N)cn2)CCC1C
InChIInChI=1S/C14H17N3O2/c1-10-5-6-17(9-13(10)19-2)14(18)12-4-3-11(7-15)8-16-12/h3-4,8,10,13H,5-6,9H2,1-2H3
InChIKeyFMDARADWRWULSF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.45
Rot. Bonds2

About 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile

6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile (PubChem CID 102677644) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
PubChem CID102677644
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
SMILESCOC1CN(C(=O)c2ccc(C#N)cn2)CCC1C
InChIInChI=1S/C14H17N3O2/c1-10-5-6-17(9-13(10)19-2)14(18)12-4-3-11(7-15)8-16-12/h3-4,8,10,13H,5-6,9H2,1-2H3
InChIKeyFMDARADWRWULSF-UHFFFAOYSA-N
XLogP1.45
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile (CID 102677644) is 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile is COC1CN(C(=O)c2ccc(C#N)cn2)CCC1C.
What is the InChIKey of 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile?
The InChIKey is FMDARADWRWULSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-5-6-17(9-13(10)19-2)14(18)12-4-3-11(7-15)8-16-12/h3-4,8,10,13H,5-6,9H2,1-2H3.
What are the key properties of 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile?
6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 102677644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).