2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile

C10H12N2O2 — CID 704165

IUPAC2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C10H12N2O2/c1-3-4-12-9(13)5-7(2)8(6-11)10(12)14/h5,14H,3-4H2,1-2H3
InChIKeyLPOHMYSTVUMOPY-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.14
Rot. Bonds2

About 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile

2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 704165) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
PubChem CID704165
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C10H12N2O2/c1-3-4-12-9(13)5-7(2)8(6-11)10(12)14/h5,14H,3-4H2,1-2H3
InChIKeyLPOHMYSTVUMOPY-UHFFFAOYSA-N
XLogP1.14
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
CID 119879
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
CID 113347
1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504759
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
6-Hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 120054
4,6-Dimethyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 4380373
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
3-Cyano-6-hydroxy-4-methyl-2-oxo-1(2H)-pyridinepropanoic acid
CID 21264851
1-(Cyanomethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 53243166

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile (CID 704165) is 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is LPOHMYSTVUMOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-4-12-9(13)5-7(2)8(6-11)10(12)14/h5,14H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 704165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).