N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

C21H15ClN4O — CID 59374134

IUPACN-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESClc1cccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C21H15ClN4O/c22-16-5-3-4-15(14-16)20-21(25-13-12-24-20)27-18-9-7-17(8-10-18)26-19-6-1-2-11-23-19/h1-14H,(H,23,26)
InChIKeyRDJLMJVDLKEBCV-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.73
Rot. Bonds5

About N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (PubChem CID 59374134) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
PubChem CID59374134
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC NameN-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESClc1cccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C21H15ClN4O/c22-16-5-3-4-15(14-16)20-21(25-13-12-24-20)27-18-9-7-17(8-10-18)26-19-6-1-2-11-23-19/h1-14H,(H,23,26)
InChIKeyRDJLMJVDLKEBCV-UHFFFAOYSA-N
XLogP5.73
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The IUPAC name of N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (CID 59374134) is N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is Clc1cccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)c1.
What is the InChIKey of N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The InChIKey is RDJLMJVDLKEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-16-5-3-4-15(14-16)20-21(25-13-12-24-20)27-18-9-7-17(8-10-18)26-19-6-1-2-11-23-19/h1-14H,(H,23,26).
What are the key properties of N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine has a molecular weight of 374.83 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-chlorophenyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 59374134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).