2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile

C10H13N3O2 — CID 20541690

IUPAC2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile
SMILESCNCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C10H13N3O2/c1-7-5-9(14)13(4-3-12-2)10(15)8(7)6-11/h5,12,15H,3-4H2,1-2H3
InChIKeyJNEZWTMMRHDMKF-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.05
Rot. Bonds3

About 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile

2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile (PubChem CID 20541690) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile
PubChem CID20541690
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile
SMILESCNCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C10H13N3O2/c1-7-5-9(14)13(4-3-12-2)10(15)8(7)6-11/h5,12,15H,3-4H2,1-2H3
InChIKeyJNEZWTMMRHDMKF-UHFFFAOYSA-N
XLogP-0.05
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile (CID 20541690) is 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile is CNCCn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile?
The InChIKey is JNEZWTMMRHDMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-5-9(14)13(4-3-12-2)10(15)8(7)6-11/h5,12,15H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile?
2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-1-[2-(methylamino)ethyl]-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 20541690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).