2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile

C12H16N2O3 — CID 162372588

IUPAC2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile
SMILESCCCOCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C12H16N2O3/c1-3-5-17-6-4-14-11(15)7-9(2)10(8-13)12(14)16/h7,16H,3-6H2,1-2H3
InChIKeyCNIJFNKBCSPJIT-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.16
Rot. Bonds5

About 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile

2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile (PubChem CID 162372588) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile
PubChem CID162372588
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile
SMILESCCCOCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C12H16N2O3/c1-3-5-17-6-4-14-11(15)7-9(2)10(8-13)12(14)16/h7,16H,3-6H2,1-2H3
InChIKeyCNIJFNKBCSPJIT-UHFFFAOYSA-N
XLogP1.16
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
CID 119879
3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 170159
6-Hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 3146302
1,2-Dihydro-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxonicotinonitrile
CID 120054
6-Hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 647740
6-Hydroxy-1-(2-hydroxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 650531
6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504761
1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile
CID 15868916
6-Hydroxy-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 704165
6-Hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2825068
6-Hydroxy-4-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carbonitrile
CID 3291815
1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 3016231

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile (CID 162372588) is 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile is CCCOCCn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile?
The InChIKey is CNIJFNKBCSPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-5-17-6-4-14-11(15)7-9(2)10(8-13)12(14)16/h7,16H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile?
2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 162372588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).