3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one

C17H23N3O2 — CID 71988496

IUPAC3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one
SMILESC#CCN(CCC(=O)N1CCOCC1)Cc1cccc(C)n1
InChIInChI=1S/C17H23N3O2/c1-3-8-19(14-16-6-4-5-15(2)18-16)9-7-17(21)20-10-12-22-13-11-20/h1,4-6H,7-14H2,2H3
InChIKeyRMSYLXXOKKQEMV-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.07
Rot. Bonds6

About 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one

3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 71988496) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID71988496
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one
SMILESC#CCN(CCC(=O)N1CCOCC1)Cc1cccc(C)n1
InChIInChI=1S/C17H23N3O2/c1-3-8-19(14-16-6-4-5-15(2)18-16)9-7-17(21)20-10-12-22-13-11-20/h1,4-6H,7-14H2,2H3
InChIKeyRMSYLXXOKKQEMV-UHFFFAOYSA-N
XLogP1.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-morpholin-4-yl-4-oxobutyl)-prop-2-ynylamino]acetic acid
CID 79273740
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 115684547
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 125023556
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
4-[[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzonitrile
CID 56796714
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 23877209
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one (CID 71988496) is 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one is C#CCN(CCC(=O)N1CCOCC1)Cc1cccc(C)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is RMSYLXXOKKQEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-8-19(14-16-6-4-5-15(2)18-16)9-7-17(21)20-10-12-22-13-11-20/h1,4-6H,7-14H2,2H3.
What are the key properties of 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one?
3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methyl-prop-2-ynylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 71988496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).