1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C11H14N2O2 — CID 3148839

IUPAC1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCCO)c(=O)c1C#N
InChIInChI=1S/C11H14N2O2/c1-8-6-9(2)13(4-3-5-14)11(15)10(8)7-12/h6,14H,3-5H2,1-2H3
InChIKeyTZKABXGARWOHSE-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.72
Rot. Bonds3

About 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 3148839) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID3148839
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCCO)c(=O)c1C#N
InChIInChI=1S/C11H14N2O2/c1-8-6-9(2)13(4-3-5-14)11(15)10(8)7-12/h6,14H,3-5H2,1-2H3
InChIKeyTZKABXGARWOHSE-UHFFFAOYSA-N
XLogP0.72
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 3148839) is 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(CCCO)c(=O)c1C#N.
What is the InChIKey of 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is TZKABXGARWOHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-6-9(2)13(4-3-5-14)11(15)10(8)7-12/h6,14H,3-5H2,1-2H3.
What are the key properties of 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3148839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).