4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile

C17H25N3O — CID 135110937

IUPAC4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile
SMILESCCCOC1CCCN(c2nc(C)c(C)c(C)c2C#N)C1
InChIInChI=1S/C17H25N3O/c1-5-9-21-15-7-6-8-20(11-15)17-16(10-18)13(3)12(2)14(4)19-17/h15H,5-9,11H2,1-4H3
InChIKeyDSAOFCZEGUJKGK-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.27
Rot. Bonds4

About 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile

4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 135110937) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID135110937
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile
SMILESCCCOC1CCCN(c2nc(C)c(C)c(C)c2C#N)C1
InChIInChI=1S/C17H25N3O/c1-5-9-21-15-7-6-8-20(11-15)17-16(10-18)13(3)12(2)14(4)19-17/h15H,5-9,11H2,1-4H3
InChIKeyDSAOFCZEGUJKGK-UHFFFAOYSA-N
XLogP3.27
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,5-dimethyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80784750
1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95882991
4-methyl-2-(3-propoxypiperidin-1-yl)benzonitrile
CID 55056789
2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073559
4-chloro-2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidine-5-carbaldehyde
CID 80732072
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
CID 63022907
N-methyl-1-[6-(3-propoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66451853
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272
2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806981
5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 171691304
5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine
CID 80806982
4-(chloromethyl)-6-methyl-2-(3-propoxypiperidin-1-yl)pyrimidine
CID 114220020

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile (CID 135110937) is 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile is CCCOC1CCCN(c2nc(C)c(C)c(C)c2C#N)C1.
What is the InChIKey of 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is DSAOFCZEGUJKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-9-21-15-7-6-8-20(11-15)17-16(10-18)13(3)12(2)14(4)19-17/h15H,5-9,11H2,1-4H3.
What are the key properties of 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile?
4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 135110937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).