2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

C16H19Cl2N3O3 — CID 6462700

IUPAC2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2cccnc2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H18ClN3O3.ClH/c1-22-14-6-12(5-13(17)16(14)23-10-15(18)21)9-20-8-11-3-2-4-19-7-11;/h2-7,20H,8-10H2,1H3,(H2,18,21);1H
InChIKeyRXEWJIQBVHXFBL-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.32
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 6462700) has the molecular formula C16H19Cl2N3O3 and a molecular weight of 372.25 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID6462700
Molecular FormulaC16H19Cl2N3O3
Molecular Weight372.25 g/mol
Exact Mass371.08
IUPAC Name2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2cccnc2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H18ClN3O3.ClH/c1-22-14-6-12(5-13(17)16(14)23-10-15(18)21)9-20-8-11-3-2-4-19-7-11;/h2-7,20H,8-10H2,1H3,(H2,18,21);1H
InChIKeyRXEWJIQBVHXFBL-UHFFFAOYSA-N
XLogP2.32
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997010
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 6473186
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 2997364
1-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-ol;dihydrochloride
CID 17055939
2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
CID 21233351
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-chloro-4-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 35607506
2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride
CID 17293104

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 6462700) is 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is COc1cc(CNCc2cccnc2)cc(Cl)c1OCC(N)=O.Cl.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is RXEWJIQBVHXFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3.ClH/c1-22-14-6-12(5-13(17)16(14)23-10-15(18)21)9-20-8-11-3-2-4-19-7-11;/h2-7,20H,8-10H2,1H3,(H2,18,21);1H.
What are the key properties of 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 372.25 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 6462700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).