methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate

C14H22N2O3 — CID 79151614

IUPACmethyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
SMILESCOC(=O)CCOc1ccc(C)nc1CNC(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)15-9-12-13(6-5-11(3)16-12)19-8-7-14(17)18-4/h5-6,10,15H,7-9H2,1-4H3
InChIKeyBINLNHGLPXRRSF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds7

About methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate

methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate (PubChem CID 79151614) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
PubChem CID79151614
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
SMILESCOC(=O)CCOc1ccc(C)nc1CNC(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)15-9-12-13(6-5-11(3)16-12)19-8-7-14(17)18-4/h5-6,10,15H,7-9H2,1-4H3
InChIKeyBINLNHGLPXRRSF-UHFFFAOYSA-N
XLogP1.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate with MolForge

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Related Compounds

3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79151234
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79158097
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
3-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79151271
5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile
CID 79151307
N-[[6-methyl-3-(2-phenylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79158258
methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 63949714
N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine
CID 113374142
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79262670
N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151007
N-[[6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79150848

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate?
The IUPAC name of methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate (CID 79151614) is methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate.
What is the SMILES notation for methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate?
The canonical SMILES for methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate is COC(=O)CCOc1ccc(C)nc1CNC(C)C.
What is the InChIKey of methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate?
The InChIKey is BINLNHGLPXRRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)15-9-12-13(6-5-11(3)16-12)19-8-7-14(17)18-4/h5-6,10,15H,7-9H2,1-4H3.
What are the key properties of methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate?
methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate has a molecular weight of 266.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate is sourced from PubChem (CID 79151614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).