3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide

C13H12Cl2N4O2 — CID 111115685

IUPAC3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O2/c14-7-1-2-8(9(15)5-7)10(20)6-19-13(21)11-12(16)18-4-3-17-11/h1-5,10,20H,6H2,(H2,16,18)(H,19,21)
InChIKeyVIECGVUPAVKGLL-UHFFFAOYSA-N
MW327.17 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide

3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide (PubChem CID 111115685) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide
PubChem CID111115685
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC Name3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O2/c14-7-1-2-8(9(15)5-7)10(20)6-19-13(21)11-12(16)18-4-3-17-11/h1-5,10,20H,6H2,(H2,16,18)(H,19,21)
InChIKeyVIECGVUPAVKGLL-UHFFFAOYSA-N
XLogP1.83
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 96517114
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111831116
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 111115704
3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide
CID 43039205
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 111115700
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
CID 110017546
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 111115673
3-amino-N'-(3-chlorophenyl)pyrazine-2-carbohydrazide
CID 43054084
cis-(1S,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701417

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide (CID 111115685) is 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide?
The InChIKey is VIECGVUPAVKGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c14-7-1-2-8(9(15)5-7)10(20)6-19-13(21)11-12(16)18-4-3-17-11/h1-5,10,20H,6H2,(H2,16,18)(H,19,21).
What are the key properties of 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide?
3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 111115685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).