1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

C12H15N3O2 — CID 141316176

IUPAC1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCn1ccc(CN2CCOCC2)c(C#N)c1=O
InChIInChI=1S/C12H15N3O2/c1-14-3-2-10(11(8-13)12(14)16)9-15-4-6-17-7-5-15/h2-3H,4-7,9H2,1H3
InChIKeyKQYPTUTZFCMTBS-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.09
Rot. Bonds2

About 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 141316176) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
PubChem CID141316176
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCn1ccc(CN2CCOCC2)c(C#N)c1=O
InChIInChI=1S/C12H15N3O2/c1-14-3-2-10(11(8-13)12(14)16)9-15-4-6-17-7-5-15/h2-3H,4-7,9H2,1H3
InChIKeyKQYPTUTZFCMTBS-UHFFFAOYSA-N
XLogP0.09
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (CID 141316176) is 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is Cn1ccc(CN2CCOCC2)c(C#N)c1=O.
What is the InChIKey of 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is KQYPTUTZFCMTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-3-2-10(11(8-13)12(14)16)9-15-4-6-17-7-5-15/h2-3H,4-7,9H2,1H3.
What are the key properties of 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 141316176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).