2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone

C12H17N3O2 — CID 79076896

IUPAC2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCN1CCOC(C(=O)Cc2cnccc2N)C1
InChIInChI=1S/C12H17N3O2/c1-15-4-5-17-12(8-15)11(16)6-9-7-14-3-2-10(9)13/h2-3,7,12H,4-6,8H2,1H3,(H2,13,14)
InChIKeyDPFUZJXKOUPFEY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.11
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone

2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone (PubChem CID 79076896) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone
PubChem CID79076896
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCN1CCOC(C(=O)Cc2cnccc2N)C1
InChIInChI=1S/C12H17N3O2/c1-15-4-5-17-12(8-15)11(16)6-9-7-14-3-2-10(9)13/h2-3,7,12H,4-6,8H2,1H3,(H2,13,14)
InChIKeyDPFUZJXKOUPFEY-UHFFFAOYSA-N
XLogP0.11
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone (CID 79076896) is 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone is CN1CCOC(C(=O)Cc2cnccc2N)C1.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone?
The InChIKey is DPFUZJXKOUPFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-4-5-17-12(8-15)11(16)6-9-7-14-3-2-10(9)13/h2-3,7,12H,4-6,8H2,1H3,(H2,13,14).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone?
2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79076896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).