2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone

C14H14ClN3O3 — CID 89266579

IUPAC2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2nccnc2Cl)cc1OC
InChIInChI=1S/C14H14ClN3O3/c1-20-11-4-3-9(7-12(11)21-2)10(19)8-18-14-13(15)16-5-6-17-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyYEXXBIIYJAZJOZ-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.44
Rot. Bonds6

About 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone

2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 89266579) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID89266579
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2nccnc2Cl)cc1OC
InChIInChI=1S/C14H14ClN3O3/c1-20-11-4-3-9(7-12(11)21-2)10(19)8-18-14-13(15)16-5-6-17-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyYEXXBIIYJAZJOZ-UHFFFAOYSA-N
XLogP2.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone
CID 110824940
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 116588961
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105094334
1-(3,4-dimethoxyphenyl)-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanone
CID 110829944
N-(3-chloropyrazin-2-yl)-3-methoxy-4-nitrobenzamide
CID 102989249
2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823709

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone (CID 89266579) is 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CNc2nccnc2Cl)cc1OC.
What is the InChIKey of 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is YEXXBIIYJAZJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-20-11-4-3-9(7-12(11)21-2)10(19)8-18-14-13(15)16-5-6-17-14/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone?
2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 307.74 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 89266579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).