3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide

C15H16ClN3O — CID 25218348

IUPAC3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide
SMILESCc1nc(C)c(CNC(=O)c2cccc(Cl)c2)nc1C
InChIInChI=1S/C15H16ClN3O/c1-9-10(2)19-14(11(3)18-9)8-17-15(20)12-5-4-6-13(16)7-12/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeySUVQTGPJIYDECA-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.99
Rot. Bonds3

About 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide

3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide (PubChem CID 25218348) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide
PubChem CID25218348
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide
SMILESCc1nc(C)c(CNC(=O)c2cccc(Cl)c2)nc1C
InChIInChI=1S/C15H16ClN3O/c1-9-10(2)19-14(11(3)18-9)8-17-15(20)12-5-4-6-13(16)7-12/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeySUVQTGPJIYDECA-UHFFFAOYSA-N
XLogP2.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide (CID 25218348) is 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide is Cc1nc(C)c(CNC(=O)c2cccc(Cl)c2)nc1C.
What is the InChIKey of 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide?
The InChIKey is SUVQTGPJIYDECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-10(2)19-14(11(3)18-9)8-17-15(20)12-5-4-6-13(16)7-12/h4-7H,8H2,1-3H3,(H,17,20).
What are the key properties of 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide?
3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide has a molecular weight of 289.77 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 25218348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).