1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C10H9N3O2 — CID 21022659

IUPAC1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CC#N)c(=O)c1C#N
InChIInChI=1S/C10H9N3O2/c1-6-7(2)9(14)13(4-3-11)10(15)8(6)5-12/h14H,4H2,1-2H3
InChIKeyTYVYGPQVUAUJCG-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.57
Rot. Bonds1

About 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 21022659) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID21022659
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CC#N)c(=O)c1C#N
InChIInChI=1S/C10H9N3O2/c1-6-7(2)9(14)13(4-3-11)10(15)8(6)5-12/h14H,4H2,1-2H3
InChIKeyTYVYGPQVUAUJCG-UHFFFAOYSA-N
XLogP0.57
TPSA89.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 13115629
6-Hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile
CID 644571
6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504761
N-[(Z)-(5-cyano-1,4-dimethyl-2,6-dioxopyridin-3-ylidene)methyl]acetamide
CID 676922
6-Hydroxy-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 704165
5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 13115630
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
6-Hydroxy-1,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 117918
1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 3016231

Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 21022659) is 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C)c(O)n(CC#N)c(=O)c1C#N.
What is the InChIKey of 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is TYVYGPQVUAUJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-7(2)9(14)13(4-3-11)10(15)8(6)5-12/h14H,4H2,1-2H3.
What are the key properties of 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 21022659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).