2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide

C15H21N3O2 — CID 79151448

IUPAC2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(C)nc1CNCCC
InChIInChI=1S/C15H21N3O2/c1-4-8-16-10-13-14(7-6-12(3)18-13)20-11-15(19)17-9-5-2/h2,6-7,16H,4,8-11H2,1,3H3,(H,17,19)
InChIKeyFUQCVTOTQZZYLX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.02
Rot. Bonds8

About 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide

2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide (PubChem CID 79151448) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide
PubChem CID79151448
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(C)nc1CNCCC
InChIInChI=1S/C15H21N3O2/c1-4-8-16-10-13-14(7-6-12(3)18-13)20-11-15(19)17-9-5-2/h2,6-7,16H,4,8-11H2,1,3H3,(H,17,19)
InChIKeyFUQCVTOTQZZYLX-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79157729
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79151664
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-propylacetamide
CID 79158938
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79150987
N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151521
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150598
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide (CID 79151448) is 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1ccc(C)nc1CNCCC.
What is the InChIKey of 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide?
The InChIKey is FUQCVTOTQZZYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-16-10-13-14(7-6-12(3)18-13)20-11-15(19)17-9-5-2/h2,6-7,16H,4,8-11H2,1,3H3,(H,17,19).
What are the key properties of 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide?
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 79151448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).