1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone

C16H19N3O2S — CID 110112351

IUPAC1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCOC(c3cccc(N)n3)C2)s1
InChIInChI=1S/C16H19N3O2S/c1-11-5-6-12(22-11)9-16(20)19-7-8-21-14(10-19)13-3-2-4-15(17)18-13/h2-6,14H,7-10H2,1H3,(H2,17,18)
InChIKeyGTUPCVJRWCVYJR-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.18
Rot. Bonds3

About 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone

1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 110112351) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
PubChem CID110112351
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCOC(c3cccc(N)n3)C2)s1
InChIInChI=1S/C16H19N3O2S/c1-11-5-6-12(22-11)9-16(20)19-7-8-21-14(10-19)13-3-2-4-15(17)18-13/h2-6,14H,7-10H2,1H3,(H2,17,18)
InChIKeyGTUPCVJRWCVYJR-UHFFFAOYSA-N
XLogP2.18
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110113577
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 125019995
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-cyclohexylethanone
CID 124970514
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 124943141
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125016179
3-[(2S)-2-(6-amino-2-pyridinyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 124987060
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124986100
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124988458
[2-(6-amino-2-pyridinyl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 110112317
[2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110112377

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone (CID 110112351) is 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone is Cc1ccc(CC(=O)N2CCOC(c3cccc(N)n3)C2)s1.
What is the InChIKey of 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is GTUPCVJRWCVYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-5-6-12(22-11)9-16(20)19-7-8-21-14(10-19)13-3-2-4-15(17)18-13/h2-6,14H,7-10H2,1H3,(H2,17,18).
What are the key properties of 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 317.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 110112351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).