(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C13H19N3O3 — CID 114780108

IUPAC(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cnccc2N)CC(CO)O1
InChIInChI=1S/C13H19N3O3/c1-13(2)8-16(6-9(7-17)19-13)12(18)10-5-15-4-3-11(10)14/h3-5,9,17H,6-8H2,1-2H3,(H2,14,15)
InChIKeyJOYMQATXOBUTPR-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.28
Rot. Bonds2

About (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114780108) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114780108
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cnccc2N)CC(CO)O1
InChIInChI=1S/C13H19N3O3/c1-13(2)8-16(6-9(7-17)19-13)12(18)10-5-15-4-3-11(10)14/h3-5,9,17H,6-8H2,1-2H3,(H2,14,15)
InChIKeyJOYMQATXOBUTPR-UHFFFAOYSA-N
XLogP0.28
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-5-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
(2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776038
(2-amino-4,5-difluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776082
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114782009
(4-amino-3-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776793
(5-amino-2-chlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776059
(2-amino-4-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780098
(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776065
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
(6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780099
(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776070

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114780108) is (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1(C)CN(C(=O)c2cnccc2N)CC(CO)O1.
What is the InChIKey of (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is JOYMQATXOBUTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2)8-16(6-9(7-17)19-13)12(18)10-5-15-4-3-11(10)14/h3-5,9,17H,6-8H2,1-2H3,(H2,14,15).
What are the key properties of (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 265.31 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114780108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).