N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine

C24H23ClN6 — CID 5330383

IUPACN-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCCc4ccncc4)c3)n2)c1
InChIInChI=1S/C24H23ClN6/c25-20-5-3-6-21(13-20)30-24-17-28-16-23(31-24)19-12-22(15-27-14-19)29-9-2-1-4-18-7-10-26-11-8-18/h3,5-8,10-17,29H,1-2,4,9H2,(H,30,31)
InChIKeyBQEIJKOXORSBIM-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.77
Rot. Bonds9

About N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine

N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330383) has the molecular formula C24H23ClN6 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330383
Molecular FormulaC24H23ClN6
Molecular Weight430.94 g/mol
Exact Mass430.17
IUPAC NameN-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCCc4ccncc4)c3)n2)c1
InChIInChI=1S/C24H23ClN6/c25-20-5-3-6-21(13-20)30-24-17-28-16-23(31-24)19-12-22(15-27-14-19)29-9-2-1-4-18-7-10-26-11-8-18/h3,5-8,10-17,29H,1-2,4,9H2,(H,30,31)
InChIKeyBQEIJKOXORSBIM-UHFFFAOYSA-N
XLogP5.77
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.77
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-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330383) is N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine is Clc1cccc(Nc2cncc(-c3cncc(NCCCCc4ccncc4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is BQEIJKOXORSBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6/c25-20-5-3-6-21(13-20)30-24-17-28-16-23(31-24)19-12-22(15-27-14-19)29-9-2-1-4-18-7-10-26-11-8-18/h3,5-8,10-17,29H,1-2,4,9H2,(H,30,31).
What are the key properties of N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 430.94 g/mol, XLogP of 5.77, 9 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-(4-pyridin-4-ylbutylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).