2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid

C14H13Cl2N3O3 — CID 11493883

IUPAC2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1c(Cl)cnc(NCCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H13Cl2N3O3/c15-10-3-1-9(2-4-10)5-6-17-13-14(22)19(8-12(20)21)11(16)7-18-13/h1-4,7H,5-6,8H2,(H,17,18)(H,20,21)
InChIKeyRNKBWJSBXLJCQW-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.29
Rot. Bonds6

About 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid

2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 11493883) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID11493883
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Name2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1c(Cl)cnc(NCCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H13Cl2N3O3/c15-10-3-1-9(2-4-10)5-6-17-13-14(22)19(8-12(20)21)11(16)7-18-13/h1-4,7H,5-6,8H2,(H,17,18)(H,20,21)
InChIKeyRNKBWJSBXLJCQW-UHFFFAOYSA-N
XLogP2.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[(E)-4-hydroxybut-1-enyl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 156750867
2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 11003513
2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 157270560
1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
2-[6-chloro-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]-2-oxopyrazin-1-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 18741268
5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 61236750
benzyl 2-[3-chloro-2-(4-chlorophenyl)-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetate
CID 11060264
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
2-[6-chloro-3-[[1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylpropan-2-yl]amino]-2-oxopyrazin-1-yl]acetic acid
CID 70037654
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
CID 79081252
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
CID 61380799

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid (CID 11493883) is 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid is O=C(O)Cn1c(Cl)cnc(NCCc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is RNKBWJSBXLJCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c15-10-3-1-9(2-4-10)5-6-17-13-14(22)19(8-12(20)21)11(16)7-18-13/h1-4,7H,5-6,8H2,(H,17,18)(H,20,21).
What are the key properties of 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid?
2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 342.18 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 11493883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).