N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide

C17H12ClN3O2 — CID 2441383

IUPACN-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnccn1
InChIInChI=1S/C17H12ClN3O2/c18-12-6-7-16(23-13-4-2-1-3-5-13)14(10-12)21-17(22)15-11-19-8-9-20-15/h1-11H,(H,21,22)
InChIKeyDSSQJCNMKWRWEI-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.17
Rot. Bonds4

About N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide

N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide (PubChem CID 2441383) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide
PubChem CID2441383
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC NameN-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnccn1
InChIInChI=1S/C17H12ClN3O2/c18-12-6-7-16(23-13-4-2-1-3-5-13)14(10-12)21-17(22)15-11-19-8-9-20-15/h1-11H,(H,21,22)
InChIKeyDSSQJCNMKWRWEI-UHFFFAOYSA-N
XLogP4.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide (CID 2441383) is N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide is O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnccn1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is DSSQJCNMKWRWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-12-6-7-16(23-13-4-2-1-3-5-13)14(10-12)21-17(22)15-11-19-8-9-20-15/h1-11H,(H,21,22).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide?
N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 325.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 2441383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).