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

C20H14ClN5O — CID 59374305

IUPACN-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESClc1cc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)ccn1
InChIInChI=1S/C20H14ClN5O/c21-17-13-14(8-10-22-17)19-20(25-12-11-24-19)27-16-6-4-15(5-7-16)26-18-3-1-2-9-23-18/h1-13H,(H,23,26)
InChIKeySPCPWLJUPQKRSH-UHFFFAOYSA-N
MW375.82 g/mol
LogP5.12
Rot. Bonds5

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

N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (PubChem CID 59374305) has the molecular formula C20H14ClN5O and a molecular weight of 375.82 g/mol. Its IUPAC name is N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
PubChem CID59374305
Molecular FormulaC20H14ClN5O
Molecular Weight375.82 g/mol
Exact Mass375.09
IUPAC NameN-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESClc1cc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)ccn1
InChIInChI=1S/C20H14ClN5O/c21-17-13-14(8-10-22-17)19-20(25-12-11-24-19)27-16-6-4-15(5-7-16)26-18-3-1-2-9-23-18/h1-13H,(H,23,26)
InChIKeySPCPWLJUPQKRSH-UHFFFAOYSA-N
XLogP5.12
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.82
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The IUPAC name of N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (CID 59374305) is N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is Clc1cc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)ccn1.
What is the InChIKey of N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The InChIKey is SPCPWLJUPQKRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O/c21-17-13-14(8-10-22-17)19-20(25-12-11-24-19)27-16-6-4-15(5-7-16)26-18-3-1-2-9-23-18/h1-13H,(H,23,26).
What are the key properties of N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine has a molecular weight of 375.82 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-chloro-4-pyridinyl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 59374305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).