prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate

C15H18N2O3 — CID 97311380

IUPACprop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
SMILESC#CCOC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1
InChIInChI=1S/C15H18N2O3/c1-4-7-19-15(18)13-5-6-14(16-8-13)17-9-11(2)20-12(3)10-17/h1,5-6,8,11-12H,7,9-10H2,2-3H3/t11-,12-/m0/s1
InChIKeyQXWFYYJGLBZLKV-RYUDHWBXSA-N
MW274.32 g/mol
LogP1.49
Rot. Bonds3

About prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate

prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate (PubChem CID 97311380) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
PubChem CID97311380
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameprop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
SMILESC#CCOC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1
InChIInChI=1S/C15H18N2O3/c1-4-7-19-15(18)13-5-6-14(16-8-13)17-9-11(2)20-12(3)10-17/h1,5-6,8,11-12H,7,9-10H2,2-3H3/t11-,12-/m0/s1
InChIKeyQXWFYYJGLBZLKV-RYUDHWBXSA-N
XLogP1.49
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 124859965
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
[(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 100851644
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192
N'-(cyclopropanecarbonyl)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 37319900
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 37320361
[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 75403072
N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 94146461

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
The IUPAC name of prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate (CID 97311380) is prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate is C#CCOC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1.
What is the InChIKey of prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
The InChIKey is QXWFYYJGLBZLKV-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-7-19-15(18)13-5-6-14(16-8-13)17-9-11(2)20-12(3)10-17/h1,5-6,8,11-12H,7,9-10H2,2-3H3/t11-,12-/m0/s1.
What are the key properties of prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 97311380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).