2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide

C16H19ClN4O3 — CID 77097544

IUPAC2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CN(C)Cc2cnccn2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C16H19ClN4O3/c1-21(9-12-7-19-3-4-20-12)8-11-5-13(17)16(14(6-11)23-2)24-10-15(18)22/h3-7H,8-10H2,1-2H3,(H2,18,22)
InChIKeyUGSYICUGHOPHGP-UHFFFAOYSA-N
MW350.81 g/mol
LogP1.63
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide

2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide (PubChem CID 77097544) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide
PubChem CID77097544
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CN(C)Cc2cnccn2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C16H19ClN4O3/c1-21(9-12-7-19-3-4-20-12)8-11-5-13(17)16(14(6-11)23-2)24-10-15(18)22/h3-7H,8-10H2,1-2H3,(H2,18,22)
InChIKeyUGSYICUGHOPHGP-UHFFFAOYSA-N
XLogP1.63
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
CID 44665968
2-[4-[[azetidin-3-yl(methyl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 66186821
2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6462700
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium
CID 7632298
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504
2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride
CID 17293104
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
CID 18136436
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 42143260
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide
CID 55916919

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide (CID 77097544) is 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide is COc1cc(CN(C)Cc2cnccn2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide?
The InChIKey is UGSYICUGHOPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-21(9-12-7-19-3-4-20-12)8-11-5-13(17)16(14(6-11)23-2)24-10-15(18)22/h3-7H,8-10H2,1-2H3,(H2,18,22).
What are the key properties of 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide has a molecular weight of 350.81 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 77097544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).