5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile

C10H13N3O3 — CID 153148194

IUPAC5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCOCCn1c(O)c(C#N)c(C)c(N)c1=O
InChIInChI=1S/C10H13N3O3/c1-6-7(5-11)9(14)13(3-4-16-2)10(15)8(6)12/h14H,3-4,12H2,1-2H3
InChIKeyRVAXFGINCVNNCC-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.04
Rot. Bonds3

About 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile

5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 153148194) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID153148194
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCOCCn1c(O)c(C#N)c(C)c(N)c1=O
InChIInChI=1S/C10H13N3O3/c1-6-7(5-11)9(14)13(3-4-16-2)10(15)8(6)12/h14H,3-4,12H2,1-2H3
InChIKeyRVAXFGINCVNNCC-UHFFFAOYSA-N
XLogP-0.04
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile (CID 153148194) is 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile is COCCn1c(O)c(C#N)c(C)c(N)c1=O.
What is the InChIKey of 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is RVAXFGINCVNNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-7(5-11)9(14)13(3-4-16-2)10(15)8(6)12/h14H,3-4,12H2,1-2H3.
What are the key properties of 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile?
5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 153148194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).