5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

C10H13N3O2 — CID 13115629

IUPAC5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(CN(C)C)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C10H13N3O2/c1-6-7(4-11)9(14)12-10(15)8(6)5-13(2)3/h5H2,1-3H3,(H2,12,14,15)
InChIKeyKMGINBJHOIRXCS-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.32
Rot. Bonds2

About 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 13115629) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID13115629
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(CN(C)C)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C10H13N3O2/c1-6-7(4-11)9(14)12-10(15)8(6)5-13(2)3/h5H2,1-3H3,(H2,12,14,15)
InChIKeyKMGINBJHOIRXCS-UHFFFAOYSA-N
XLogP0.32
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 13115629) is 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1c(CN(C)C)c(O)[nH]c(=O)c1C#N.
What is the InChIKey of 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KMGINBJHOIRXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-7(4-11)9(14)12-10(15)8(6)5-13(2)3/h5H2,1-3H3,(H2,12,14,15).
What are the key properties of 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 13115629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).