5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C13H12ClN3O2 — CID 62848141

IUPAC5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(Cl)ccc2O)cn1
InChIInChI=1S/C13H12ClN3O2/c1-8-5-16-10(6-15-8)7-17-13(19)11-4-9(14)2-3-12(11)18/h2-6,18H,7H2,1H3,(H,17,19)
InChIKeyLGEZUWYBFLGAGW-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.07
Rot. Bonds3

About 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide

5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 62848141) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
PubChem CID62848141
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(Cl)ccc2O)cn1
InChIInChI=1S/C13H12ClN3O2/c1-8-5-16-10(6-15-8)7-17-13(19)11-4-9(14)2-3-12(11)18/h2-6,18H,7H2,1H3,(H,17,19)
InChIKeyLGEZUWYBFLGAGW-UHFFFAOYSA-N
XLogP2.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
5-chloro-2-hydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49345861
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62847930
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114019978
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide
CID 104890839
5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62846960
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841226
2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide
CID 119059713
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 62848141) is 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2cc(Cl)ccc2O)cn1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The InChIKey is LGEZUWYBFLGAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-5-16-10(6-15-8)7-17-13(19)11-4-9(14)2-3-12(11)18/h2-6,18H,7H2,1H3,(H,17,19).
What are the key properties of 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 277.71 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 62848141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).