(E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide

C17H25N3O2 — CID 98727647

IUPAC(E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide
SMILESC[C@@H]1CN([C@H](C)CNC(=O)/C=C/c2cccnc2)C[C@H](C)O1
InChIInChI=1S/C17H25N3O2/c1-13(20-11-14(2)22-15(3)12-20)9-19-17(21)7-6-16-5-4-8-18-10-16/h4-8,10,13-15H,9,11-12H2,1-3H3,(H,19,21)/b7-6+/t13-,14-,15+/m1/s1
InChIKeyHJVNEHFZAGMTQD-AZDQDMGWSA-N
MW303.41 g/mol
LogP1.71
Rot. Bonds5

About (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 98727647) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID98727647
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide
SMILESC[C@@H]1CN([C@H](C)CNC(=O)/C=C/c2cccnc2)C[C@H](C)O1
InChIInChI=1S/C17H25N3O2/c1-13(20-11-14(2)22-15(3)12-20)9-19-17(21)7-6-16-5-4-8-18-10-16/h4-8,10,13-15H,9,11-12H2,1-3H3,(H,19,21)/b7-6+/t13-,14-,15+/m1/s1
InChIKeyHJVNEHFZAGMTQD-AZDQDMGWSA-N
XLogP1.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide with MolForge

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Related Compounds

(E)-N-[2-(2-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 51090122
2-[(3-pyridin-3-ylprop-2-enoylamino)methyl]butanoic acid
CID 77061172
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
(E)-N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 100899597
(E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide
CID 39650100
(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide
CID 95378350
(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
CID 113340817
methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
4-methyl-6-(3-pyridin-3-ylprop-2-enoylamino)hexanoic acid
CID 77024850
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide (CID 98727647) is (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide is C[C@@H]1CN([C@H](C)CNC(=O)/C=C/c2cccnc2)C[C@H](C)O1.
What is the InChIKey of (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is HJVNEHFZAGMTQD-AZDQDMGWSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(20-11-14(2)22-15(3)12-20)9-19-17(21)7-6-16-5-4-8-18-10-16/h4-8,10,13-15H,9,11-12H2,1-3H3,(H,19,21)/b7-6+/t13-,14-,15+/m1/s1.
What are the key properties of (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 303.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 98727647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).