2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide

C13H19N3O2 — CID 79163623

IUPAC2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide
SMILESCc1ccc(OC(C)C(=O)NC2CC2)c(CN)n1
InChIInChI=1S/C13H19N3O2/c1-8-3-6-12(11(7-14)15-8)18-9(2)13(17)16-10-4-5-10/h3,6,9-10H,4-5,7,14H2,1-2H3,(H,16,17)
InChIKeyVVTICOQPADFWIG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.89
Rot. Bonds5

About 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide

2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide (PubChem CID 79163623) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide
PubChem CID79163623
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide
SMILESCc1ccc(OC(C)C(=O)NC2CC2)c(CN)n1
InChIInChI=1S/C13H19N3O2/c1-8-3-6-12(11(7-14)15-8)18-9(2)13(17)16-10-4-5-10/h3,6,9-10H,4-5,7,14H2,1-2H3,(H,16,17)
InChIKeyVVTICOQPADFWIG-UHFFFAOYSA-N
XLogP0.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-pentan-2-ylpropanamide
CID 79163530
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79151015
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopentylacetamide
CID 79150558
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclohexylacetamide
CID 79162821
(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanamine
CID 79163718
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79169410
N-ethyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79151205
N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4817886
N-ethyl-2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79151419
2-[2-(aminomethyl)-4-fluorophenoxy]-N-cyclopentylpropanamide
CID 107694934
2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propylpropanamide
CID 79150870
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
CID 79157055

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
The IUPAC name of 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide (CID 79163623) is 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide is Cc1ccc(OC(C)C(=O)NC2CC2)c(CN)n1.
What is the InChIKey of 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
The InChIKey is VVTICOQPADFWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-3-6-12(11(7-14)15-8)18-9(2)13(17)16-10-4-5-10/h3,6,9-10H,4-5,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 79163623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).