2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride

C19H27ClN4O — CID 129002660

IUPAC2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride
SMILESCc1ccc(O)c(CN(Cc2ccccn2)C2CCCNCC2)n1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-15-7-8-19(24)18(22-15)14-23(13-16-5-2-3-11-21-16)17-6-4-10-20-12-9-17;/h2-3,5,7-8,11,17,20,24H,4,6,9-10,12-14H2,1H3;1H
InChIKeyQXBKRYNDWXZKOW-UHFFFAOYSA-N
MW362.91 g/mol
LogP3.06
Rot. Bonds5

About 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride

2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride (PubChem CID 129002660) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride
PubChem CID129002660
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride
SMILESCc1ccc(O)c(CN(Cc2ccccn2)C2CCCNCC2)n1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-15-7-8-19(24)18(22-15)14-23(13-16-5-2-3-11-21-16)17-6-4-10-20-12-9-17;/h2-3,5,7-8,11,17,20,24H,4,6,9-10,12-14H2,1H3;1H
InChIKeyQXBKRYNDWXZKOW-UHFFFAOYSA-N
XLogP3.06
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride with MolForge

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Related Compounds

N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 129004801
N-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 120844899
2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
CID 120869661
N-[(2-propan-2-ylpyrazol-3-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 120844953
N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 120844902
(4R)-N-(1,2-oxazol-3-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129323625
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129475727
(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129332327
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]azepan-4-amine;hydrochloride
CID 120844959
N-(3-propan-2-yloxypropyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 128967835

Frequently Asked Questions

What is the IUPAC name of 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride (CID 129002660) is 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride is Cc1ccc(O)c(CN(Cc2ccccn2)C2CCCNCC2)n1.Cl.
What is the InChIKey of 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride?
The InChIKey is QXBKRYNDWXZKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-15-7-8-19(24)18(22-15)14-23(13-16-5-2-3-11-21-16)17-6-4-10-20-12-9-17;/h2-3,5,7-8,11,17,20,24H,4,6,9-10,12-14H2,1H3;1H.
What are the key properties of 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride?
2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 129002660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).