4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

C14H19N3O — CID 81052189

IUPAC4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCCC1(O)CN(c2cc(C)nc(C)c2C#N)C1
InChIInChI=1S/C14H19N3O/c1-4-5-14(18)8-17(9-14)13-6-10(2)16-11(3)12(13)7-15/h6,18H,4-5,8-9H2,1-3H3
InChIKeyPOJSIXUYUCPTMO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.92
Rot. Bonds3

About 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81052189) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81052189
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCCC1(O)CN(c2cc(C)nc(C)c2C#N)C1
InChIInChI=1S/C14H19N3O/c1-4-5-14(18)8-17(9-14)13-6-10(2)16-11(3)12(13)7-15/h6,18H,4-5,8-9H2,1-3H3
InChIKeyPOJSIXUYUCPTMO-UHFFFAOYSA-N
XLogP1.92
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81042005
5-bromo-2-(3-hydroxy-3-propylazetidin-1-yl)benzonitrile
CID 114895153
2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile
CID 81042170
2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
CID 81060173
4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81061155
3-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]propanoic acid
CID 81049314
4-(3-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 103896228
2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
CID 81060762
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 107269409
4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052251
1-(3-cyano-2,6-dimethyl-4-pyridinyl)azepane-2-carboxylic acid
CID 81060800
1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidine-2-carboxylic acid
CID 81050172

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (CID 81052189) is 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is CCCC1(O)CN(c2cc(C)nc(C)c2C#N)C1.
What is the InChIKey of 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is POJSIXUYUCPTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-5-14(18)8-17(9-14)13-6-10(2)16-11(3)12(13)7-15/h6,18H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81052189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).