5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile

C11H13N3O2 — CID 119056920

IUPAC5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(CN2CCOCC2)c[nH]c1=O
InChIInChI=1S/C11H13N3O2/c12-6-10-5-9(7-13-11(10)15)8-14-1-3-16-4-2-14/h5,7H,1-4,8H2,(H,13,15)
InChIKeyXQPXVPCKMUFFBY-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.08
Rot. Bonds2

About 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile

5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 119056920) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID119056920
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(CN2CCOCC2)c[nH]c1=O
InChIInChI=1S/C11H13N3O2/c12-6-10-5-9(7-13-11(10)15)8-14-1-3-16-4-2-14/h5,7H,1-4,8H2,(H,13,15)
InChIKeyXQPXVPCKMUFFBY-UHFFFAOYSA-N
XLogP0.08
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 119056920) is 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1cc(CN2CCOCC2)c[nH]c1=O.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is XQPXVPCKMUFFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-6-10-5-9(7-13-11(10)15)8-14-1-3-16-4-2-14/h5,7H,1-4,8H2,(H,13,15).
What are the key properties of 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 119056920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).