N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide

C18H14ClN3O2 — CID 4882034

IUPACN-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cnccn2)cc1
InChIInChI=1S/C18H14ClN3O2/c1-12-2-5-14(6-3-12)24-17-7-4-13(19)10-15(17)22-18(23)16-11-20-8-9-21-16/h2-11H,1H3,(H,22,23)
InChIKeyTZJAKLJZBQSJSO-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.48
Rot. Bonds4

About N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide

N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 4882034) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide
PubChem CID4882034
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cnccn2)cc1
InChIInChI=1S/C18H14ClN3O2/c1-12-2-5-14(6-3-12)24-17-7-4-13(19)10-15(17)22-18(23)16-11-20-8-9-21-16/h2-11H,1H3,(H,22,23)
InChIKeyTZJAKLJZBQSJSO-UHFFFAOYSA-N
XLogP4.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.48
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-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide (CID 4882034) is N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide is Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is TZJAKLJZBQSJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-12-2-5-14(6-3-12)24-17-7-4-13(19)10-15(17)22-18(23)16-11-20-8-9-21-16/h2-11H,1H3,(H,22,23).
What are the key properties of N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide?
N-[5-chloro-2-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 4.48, 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-(4-methylphenoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4882034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).