(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone

C20H25N3O2 — CID 134710424

IUPAC(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2ccc(N)nc2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)17-13-23(19(24)15-9-10-18(21)22-11-15)12-16(25-17)14-7-5-4-6-8-14/h4-11,16-17H,12-13H2,1-3H3,(H2,21,22)/t16-,17+/m0/s1
InChIKeyXSHGSCYXZLFVRP-DLBZAZTESA-N
MW339.44 g/mol
LogP3.29
Rot. Bonds2

About (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone

(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 134710424) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
PubChem CID134710424
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2ccc(N)nc2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)17-13-23(19(24)15-9-10-18(21)22-11-15)12-16(25-17)14-7-5-4-6-8-14/h4-11,16-17H,12-13H2,1-3H3,(H2,21,22)/t16-,17+/m0/s1
InChIKeyXSHGSCYXZLFVRP-DLBZAZTESA-N
XLogP3.29
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(6-amino-3-pyridinyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134706582
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 134709398
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 155500879
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 134695527
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157016398
[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 155509589

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone (CID 134710424) is (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone is CC(C)(C)[C@H]1CN(C(=O)c2ccc(N)nc2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is XSHGSCYXZLFVRP-DLBZAZTESA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,3)17-13-23(19(24)15-9-10-18(21)22-11-15)12-16(25-17)14-7-5-4-6-8-14/h4-11,16-17H,12-13H2,1-3H3,(H2,21,22)/t16-,17+/m0/s1.
What are the key properties of (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone?
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 134710424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).