6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide

C14H14ClN3O2 — CID 137338405

IUPAC6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide
SMILESCc1cc(O)c(Cl)cc1-c1cncc(C(=O)N(C)C)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-4-13(19)10(15)5-9(8)11-6-16-7-12(17-11)14(20)18(2)3/h4-7,19H,1-3H3
InChIKeyIQPNVCKAJOCNEP-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.51
Rot. Bonds2

About 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide

6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 137338405) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide
PubChem CID137338405
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide
SMILESCc1cc(O)c(Cl)cc1-c1cncc(C(=O)N(C)C)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-4-13(19)10(15)5-9(8)11-6-16-7-12(17-11)14(20)18(2)3/h4-7,19H,1-3H3
InChIKeyIQPNVCKAJOCNEP-UHFFFAOYSA-N
XLogP2.51
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide (CID 137338405) is 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide is Cc1cc(O)c(Cl)cc1-c1cncc(C(=O)N(C)C)n1.
What is the InChIKey of 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is IQPNVCKAJOCNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-4-13(19)10(15)5-9(8)11-6-16-7-12(17-11)14(20)18(2)3/h4-7,19H,1-3H3.
What are the key properties of 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide?
6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-4-hydroxy-2-methylphenyl)-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 137338405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).