6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide

C14H10ClN5O — CID 103337237

IUPAC6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)c1cncc(Cl)n1
InChIInChI=1S/C14H10ClN5O/c15-13-8-17-7-12(19-13)14(21)18-10-2-1-3-11(6-10)20-5-4-16-9-20/h1-9H,(H,18,21)
InChIKeyBLAMXPDAGCCLSF-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.57
Rot. Bonds3

About 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide

6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 103337237) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID103337237
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)c1cncc(Cl)n1
InChIInChI=1S/C14H10ClN5O/c15-13-8-17-7-12(19-13)14(21)18-10-2-1-3-11(6-10)20-5-4-16-9-20/h1-9H,(H,18,21)
InChIKeyBLAMXPDAGCCLSF-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide (CID 103337237) is 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide is O=C(Nc1cccc(-n2ccnc2)c1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is BLAMXPDAGCCLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-13-8-17-7-12(19-13)14(21)18-10-2-1-3-11(6-10)20-5-4-16-9-20/h1-9H,(H,18,21).
What are the key properties of 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide?
6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 299.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103337237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).