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

C12H15N3O2 — CID 67466398

IUPAC6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(CN2CCOCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C12H15N3O2/c1-9-6-10(11(7-13)12(16)14-9)8-15-2-4-17-5-3-15/h6H,2-5,8H2,1H3,(H,14,16)
InChIKeyASTVMQSQHGWCKM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.39
Rot. Bonds2

About 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 67466398) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID67466398
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(CN2CCOCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C12H15N3O2/c1-9-6-10(11(7-13)12(16)14-9)8-15-2-4-17-5-3-15/h6H,2-5,8H2,1H3,(H,14,16)
InChIKeyASTVMQSQHGWCKM-UHFFFAOYSA-N
XLogP0.39
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 67466398) is 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(CN2CCOCC2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ASTVMQSQHGWCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-6-10(11(7-13)12(16)14-9)8-15-2-4-17-5-3-15/h6H,2-5,8H2,1H3,(H,14,16).
What are the key properties of 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 67466398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).