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

C11H17N3O2 — CID 79162338

IUPAC3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(C)nc1CN
InChIInChI=1S/C11H17N3O2/c1-8-3-4-10(9(7-12)14-8)16-6-5-11(15)13-2/h3-4H,5-7,12H2,1-2H3,(H,13,15)
InChIKeyXOIWKIDZXAQDBP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.36
Rot. Bonds5

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

3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide (PubChem CID 79162338) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
PubChem CID79162338
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(C)nc1CN
InChIInChI=1S/C11H17N3O2/c1-8-3-4-10(9(7-12)14-8)16-6-5-11(15)13-2/h3-4H,5-7,12H2,1-2H3,(H,13,15)
InChIKeyXOIWKIDZXAQDBP-UHFFFAOYSA-N
XLogP0.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79151271
methyl 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151411
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79158097
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
CID 79157830
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79151234
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopentylacetamide
CID 79150558
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide?
The IUPAC name of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide (CID 79162338) is 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide?
The canonical SMILES for 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide is CNC(=O)CCOc1ccc(C)nc1CN.
What is the InChIKey of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide?
The InChIKey is XOIWKIDZXAQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-4-10(9(7-12)14-8)16-6-5-11(15)13-2/h3-4H,5-7,12H2,1-2H3,(H,13,15).
What are the key properties of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide?
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide has a molecular weight of 223.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide is sourced from PubChem (CID 79162338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).