2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone

C16H25N3O2 — CID 79164469

IUPAC2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCCCCC2)c(CCN)n1
InChIInChI=1S/C16H25N3O2/c1-13-6-7-15(14(18-13)8-9-17)21-12-16(20)19-10-4-2-3-5-11-19/h6-7H,2-5,8-12,17H2,1H3
InChIKeyWUTQFDMOSAOEDG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.67
Rot. Bonds5

About 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone

2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone (PubChem CID 79164469) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
PubChem CID79164469
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCCCCC2)c(CCN)n1
InChIInChI=1S/C16H25N3O2/c1-13-6-7-15(14(18-13)8-9-17)21-12-16(20)19-10-4-2-3-5-11-19/h6-7H,2-5,8-12,17H2,1H3
InChIKeyWUTQFDMOSAOEDG-UHFFFAOYSA-N
XLogP1.67
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-1-morpholin-4-ylethanone
CID 79164661
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79169482
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995
2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
CID 43259286
1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone
CID 110498271
2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169642
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97129702

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone (CID 79164469) is 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone is Cc1ccc(OCC(=O)N2CCCCCC2)c(CCN)n1.
What is the InChIKey of 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone?
The InChIKey is WUTQFDMOSAOEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-6-7-15(14(18-13)8-9-17)21-12-16(20)19-10-4-2-3-5-11-19/h6-7H,2-5,8-12,17H2,1H3.
What are the key properties of 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone?
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 79164469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).