(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone

C12H17N3O2 — CID 62238786

IUPAC(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(N)n2)C(C)CO1
InChIInChI=1S/C12H17N3O2/c1-8-7-17-9(2)6-15(8)12(16)10-4-3-5-11(13)14-10/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14)
InChIKeyMDVHAWZIOMEKJV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds1

About (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone

(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 62238786) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID62238786
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(N)n2)C(C)CO1
InChIInChI=1S/C12H17N3O2/c1-8-7-17-9(2)6-15(8)12(16)10-4-3-5-11(13)14-10/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14)
InChIKeyMDVHAWZIOMEKJV-UHFFFAOYSA-N
XLogP0.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 62238786) is (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(N)n2)C(C)CO1.
What is the InChIKey of (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is MDVHAWZIOMEKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-7-17-9(2)6-15(8)12(16)10-4-3-5-11(13)14-10/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62238786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).