2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide

C15H21N3O2 — CID 79158298

IUPAC2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(C)nc1CNC1CC1
InChIInChI=1S/C15H21N3O2/c1-3-8-16-15(19)10-20-14-7-4-11(2)18-13(14)9-17-12-5-6-12/h3-4,7,12,17H,1,5-6,8-10H2,2H3,(H,16,19)
InChIKeyFUYCIITVLGVTKY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.32
Rot. Bonds8

About 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide

2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide (PubChem CID 79158298) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide
PubChem CID79158298
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(C)nc1CNC1CC1
InChIInChI=1S/C15H21N3O2/c1-3-8-16-15(19)10-20-14-7-4-11(2)18-13(14)9-17-12-5-6-12/h3-4,7,12,17H,1,5-6,8-10H2,2H3,(H,16,19)
InChIKeyFUYCIITVLGVTKY-UHFFFAOYSA-N
XLogP1.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-propylacetamide
CID 79158938
propan-2-yl 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]acetate
CID 79157755
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60882265
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[(3-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79156389
4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide
CID 79158444
6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
CID 107702712
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopentylacetamide
CID 79150558
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79151664
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclohexylacetamide
CID 79162821
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79151015

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide (CID 79158298) is 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(C)nc1CNC1CC1.
What is the InChIKey of 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide?
The InChIKey is FUYCIITVLGVTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-8-16-15(19)10-20-14-7-4-11(2)18-13(14)9-17-12-5-6-12/h3-4,7,12,17H,1,5-6,8-10H2,2H3,(H,16,19).
What are the key properties of 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide?
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 79158298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).