5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide

C13H12ClN3O2 — CID 107252358

IUPAC5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C13H12ClN3O2/c14-12-8-16-11(7-17-12)13(19)15-6-5-9-1-3-10(18)4-2-9/h1-4,7-8,18H,5-6H2,(H,15,19)
InChIKeyDBSRPLUPQVYNIA-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.81
Rot. Bonds4

About 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide

5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 107252358) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID107252358
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C13H12ClN3O2/c14-12-8-16-11(7-17-12)13(19)15-6-5-9-1-3-10(18)4-2-9/h1-4,7-8,18H,5-6H2,(H,15,19)
InChIKeyDBSRPLUPQVYNIA-UHFFFAOYSA-N
XLogP1.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid
CID 107371437
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571
2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 61237115
N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 78969850
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide
CID 109285769
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide (CID 107252358) is 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccc(O)cc1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is DBSRPLUPQVYNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-12-8-16-11(7-17-12)13(19)15-6-5-9-1-3-10(18)4-2-9/h1-4,7-8,18H,5-6H2,(H,15,19).
What are the key properties of 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide?
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107252358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).