1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

C14H19N3O3 — CID 21230284

IUPAC1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C14H19N3O3/c1-3-17-13(18)11(8-15)10(2)12(14(17)19)9-16-4-6-20-7-5-16/h19H,3-7,9H2,1-2H3
InChIKeyLXPFQQKDTWJMLF-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.59
Rot. Bonds3

About 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 21230284) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
PubChem CID21230284
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C14H19N3O3/c1-3-17-13(18)11(8-15)10(2)12(14(17)19)9-16-4-6-20-7-5-16/h19H,3-7,9H2,1-2H3
InChIKeyLXPFQQKDTWJMLF-UHFFFAOYSA-N
XLogP0.59
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (CID 21230284) is 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is CCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is LXPFQQKDTWJMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-17-13(18)11(8-15)10(2)12(14(17)19)9-16-4-6-20-7-5-16/h19H,3-7,9H2,1-2H3.
What are the key properties of 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 277.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 21230284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).