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

C16H26N2O3 — CID 83037341

IUPACethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
SMILESCCCC(Oc1ccc(CNC(C)C)nc1)C(=O)OCC
InChIInChI=1S/C16H26N2O3/c1-5-7-15(16(19)20-6-2)21-14-9-8-13(18-11-14)10-17-12(3)4/h8-9,11-12,15,17H,5-7,10H2,1-4H3
InChIKeyUCDMMAJFTYANOW-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.69
Rot. Bonds9

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

ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate (PubChem CID 83037341) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
PubChem CID83037341
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nameethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
SMILESCCCC(Oc1ccc(CNC(C)C)nc1)C(=O)OCC
InChIInChI=1S/C16H26N2O3/c1-5-7-15(16(19)20-6-2)21-14-9-8-13(18-11-14)10-17-12(3)4/h8-9,11-12,15,17H,5-7,10H2,1-4H3
InChIKeyUCDMMAJFTYANOW-UHFFFAOYSA-N
XLogP2.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate
CID 83038413
N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781493
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]butanoate
CID 79800006
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
CID 79781152
butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate
CID 79782868
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781881
N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79781895
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate
CID 83035105
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate?
The IUPAC name of ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate (CID 83037341) is ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate.
What is the SMILES notation for ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate?
The canonical SMILES for ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate is CCCC(Oc1ccc(CNC(C)C)nc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate?
The InChIKey is UCDMMAJFTYANOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-7-15(16(19)20-6-2)21-14-9-8-13(18-11-14)10-17-12(3)4/h8-9,11-12,15,17H,5-7,10H2,1-4H3.
What are the key properties of ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate?
ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate has a molecular weight of 294.40 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate is sourced from PubChem (CID 83037341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).