N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine

C23H20ClN5O — CID 5330385

IUPACN-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCOc4ccccc4)c3)n2)c1
InChIInChI=1S/C23H20ClN5O/c24-18-5-4-6-19(12-18)28-23-16-26-15-22(29-23)17-11-20(14-25-13-17)27-9-10-30-21-7-2-1-3-8-21/h1-8,11-16,27H,9-10H2,(H,28,29)
InChIKeyGNKGBKAHMOQPNP-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.43
Rot. Bonds8

About N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine

N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330385) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330385
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC NameN-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCOc4ccccc4)c3)n2)c1
InChIInChI=1S/C23H20ClN5O/c24-18-5-4-6-19(12-18)28-23-16-26-15-22(29-23)17-11-20(14-25-13-17)27-9-10-30-21-7-2-1-3-8-21/h1-8,11-16,27H,9-10H2,(H,28,29)
InChIKeyGNKGBKAHMOQPNP-UHFFFAOYSA-N
XLogP5.43
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330385) is N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine is Clc1cccc(Nc2cncc(-c3cncc(NCCOc4ccccc4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is GNKGBKAHMOQPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c24-18-5-4-6-19(12-18)28-23-16-26-15-22(29-23)17-11-20(14-25-13-17)27-9-10-30-21-7-2-1-3-8-21/h1-8,11-16,27H,9-10H2,(H,28,29).
What are the key properties of N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 417.90 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[5-(2-phenoxyethylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).