4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile

C14H19N3O2 — CID 112734139

IUPAC4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile
SMILESCOc1c(C)cnc(CN2CCOC(C#N)C2)c1C
InChIInChI=1S/C14H19N3O2/c1-10-7-16-13(11(2)14(10)18-3)9-17-4-5-19-12(6-15)8-17/h7,12H,4-5,8-9H2,1-3H3
InChIKeyPOTTURRDLSSRRA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.43
Rot. Bonds3

About 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile

4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile (PubChem CID 112734139) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile
PubChem CID112734139
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile
SMILESCOc1c(C)cnc(CN2CCOC(C#N)C2)c1C
InChIInChI=1S/C14H19N3O2/c1-10-7-16-13(11(2)14(10)18-3)9-17-4-5-19-12(6-15)8-17/h7,12H,4-5,8-9H2,1-3H3
InChIKeyPOTTURRDLSSRRA-UHFFFAOYSA-N
XLogP1.43
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile (CID 112734139) is 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile is COc1c(C)cnc(CN2CCOC(C#N)C2)c1C.
What is the InChIKey of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile?
The InChIKey is POTTURRDLSSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-7-16-13(11(2)14(10)18-3)9-17-4-5-19-12(6-15)8-17/h7,12H,4-5,8-9H2,1-3H3.
What are the key properties of 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile?
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile is sourced from PubChem (CID 112734139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).