[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol

C13H21N3O2 — CID 116633953

IUPAC[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol
SMILESCOc1nc(N2CCCCCC2CO)ccc1N
InChIInChI=1S/C13H21N3O2/c1-18-13-11(14)6-7-12(15-13)16-8-4-2-3-5-10(16)9-17/h6-7,10,17H,2-5,8-9,14H2,1H3
InChIKeyYIGHXIZBQDPVRI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.41
Rot. Bonds3

About [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol

[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol (PubChem CID 116633953) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol
PubChem CID116633953
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol
SMILESCOc1nc(N2CCCCCC2CO)ccc1N
InChIInChI=1S/C13H21N3O2/c1-18-13-11(14)6-7-12(15-13)16-8-4-2-3-5-10(16)9-17/h6-7,10,17H,2-5,8-9,14H2,1H3
InChIKeyYIGHXIZBQDPVRI-UHFFFAOYSA-N
XLogP1.41
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylazepan-1-yl)-2-methoxypyridin-3-amine
CID 104688787
[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]methanol
CID 63590971
2-propan-2-yloxy-6-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052124
2-[(2-methylpropan-2-yl)oxy]-6-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83053501
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 80794563
6-(4-cyclopentylpiperazin-1-yl)-2-methoxypyridin-3-amine
CID 62368609
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436
[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 22598847
[1-(6-aminopyrazin-2-yl)piperidin-2-yl]methanol
CID 80648142

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol?
The IUPAC name of [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol (CID 116633953) is [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol is COc1nc(N2CCCCCC2CO)ccc1N.
What is the InChIKey of [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol?
The InChIKey is YIGHXIZBQDPVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-13-11(14)6-7-12(15-13)16-8-4-2-3-5-10(16)9-17/h6-7,10,17H,2-5,8-9,14H2,1H3.
What are the key properties of [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol?
[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol is sourced from PubChem (CID 116633953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).