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

C16H23N3O2 — CID 79157729

IUPAC2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C)nc1CNCCC
InChIInChI=1S/C16H23N3O2/c1-5-9-17-11-14-15(8-7-12(3)19-14)21-13(4)16(20)18-10-6-2/h2,7-8,13,17H,5,9-11H2,1,3-4H3,(H,18,20)
InChIKeyGKECCBSIHCYWLF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.41
Rot. Bonds8

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

2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide (PubChem CID 79157729) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
PubChem CID79157729
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C)nc1CNCCC
InChIInChI=1S/C16H23N3O2/c1-5-9-17-11-14-15(8-7-12(3)19-14)21-13(4)16(20)18-10-6-2/h2,7-8,13,17H,5,9-11H2,1,3-4H3,(H,18,20)
InChIKeyGKECCBSIHCYWLF-UHFFFAOYSA-N
XLogP1.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.41
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

N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79157524
2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propylpropanamide
CID 79150870
N-ethyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79151205
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide
CID 79151448
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
CID 79157055
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)propanamide
CID 79157517
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 107695888
N-ethyl-2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79151419
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79169410
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid
CID 79157379

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide (CID 79157729) is 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(C)nc1CNCCC.
What is the InChIKey of 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide?
The InChIKey is GKECCBSIHCYWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-9-17-11-14-15(8-7-12(3)19-14)21-13(4)16(20)18-10-6-2/h2,7-8,13,17H,5,9-11H2,1,3-4H3,(H,18,20).
What are the key properties of 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide?
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 1.41, 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-ynylpropanamide is sourced from PubChem (CID 79157729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).