(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone

C12H17N3O2 — CID 81242861

IUPAC(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnccc2N)C(C)CO1
InChIInChI=1S/C12H17N3O2/c1-8-7-17-9(2)6-15(8)12(16)10-5-14-4-3-11(10)13/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14)
InChIKeyZPFYGHVMFDWTSF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds1

About (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone

(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 81242861) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID81242861
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnccc2N)C(C)CO1
InChIInChI=1S/C12H17N3O2/c1-8-7-17-9(2)6-15(8)12(16)10-5-14-4-3-11(10)13/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14)
InChIKeyZPFYGHVMFDWTSF-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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Related Compounds

(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62155154
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 81240937
(2,5-dimethylmorpholin-4-yl)-(2-hydrazinyl-3-pyridinyl)methanone
CID 62242697
(5-ethyl-2-methylmorpholin-4-yl)-(4-hydrazinyl-3-pyridinyl)methanone
CID 81256295
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442735
(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 106852628
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103295933

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 81242861) is (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cnccc2N)C(C)CO1.
What is the InChIKey of (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is ZPFYGHVMFDWTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-7-17-9(2)6-15(8)12(16)10-5-14-4-3-11(10)13/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(4-amino-3-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 (4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 81242861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).