2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid

C15H17ClN4O3 — CID 70066915

IUPAC2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
SMILESCCc1nc(NCCc2ccccn2)c(=O)n(CC(=O)O)c1Cl
InChIInChI=1S/C15H17ClN4O3/c1-2-11-13(16)20(9-12(21)22)15(23)14(19-11)18-8-6-10-5-3-4-7-17-10/h3-5,7H,2,6,8-9H2,1H3,(H,18,19)(H,21,22)
InChIKeyPLAHGXWGFKNMAE-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.59
Rot. Bonds7

About 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid

2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid (PubChem CID 70066915) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
PubChem CID70066915
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
SMILESCCc1nc(NCCc2ccccn2)c(=O)n(CC(=O)O)c1Cl
InChIInChI=1S/C15H17ClN4O3/c1-2-11-13(16)20(9-12(21)22)15(23)14(19-11)18-8-6-10-5-3-4-7-17-10/h3-5,7H,2,6,8-9H2,1H3,(H,18,19)(H,21,22)
InChIKeyPLAHGXWGFKNMAE-UHFFFAOYSA-N
XLogP1.59
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid
CID 10980192
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102755416
2-[5-chloro-3-(2-cyanoethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetic acid
CID 54000224
3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
CID 23770473
bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
CID 67101566
6-chloro-1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]ethyl methanesulfonate
CID 161315420
1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 58869665
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258
2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid
CID 11493883
6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 70336650
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid?
The IUPAC name of 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid (CID 70066915) is 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid is CCc1nc(NCCc2ccccn2)c(=O)n(CC(=O)O)c1Cl.
What is the InChIKey of 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid?
The InChIKey is PLAHGXWGFKNMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-2-11-13(16)20(9-12(21)22)15(23)14(19-11)18-8-6-10-5-3-4-7-17-10/h3-5,7H,2,6,8-9H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid?
2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid has a molecular weight of 336.78 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid is sourced from PubChem (CID 70066915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).