N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine

C23H20Cl2N6 — CID 5330364

IUPACN-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1ccc(Nc2cncc(-c3cncc(NCCCc4ccncc4)c3)n2)cc1Cl
InChIInChI=1S/C23H20Cl2N6/c24-20-4-3-18(11-21(20)25)30-23-15-28-14-22(31-23)17-10-19(13-27-12-17)29-7-1-2-16-5-8-26-9-6-16/h3-6,8-15,29H,1-2,7H2,(H,30,31)
InChIKeyWDJAMFCUZITORN-UHFFFAOYSA-N
MW451.36 g/mol
LogP6.03
Rot. Bonds8

About N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine

N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330364) has the molecular formula C23H20Cl2N6 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330364
Molecular FormulaC23H20Cl2N6
Molecular Weight451.36 g/mol
Exact Mass450.11
IUPAC NameN-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1ccc(Nc2cncc(-c3cncc(NCCCc4ccncc4)c3)n2)cc1Cl
InChIInChI=1S/C23H20Cl2N6/c24-20-4-3-18(11-21(20)25)30-23-15-28-14-22(31-23)17-10-19(13-27-12-17)29-7-1-2-16-5-8-26-9-6-16/h3-6,8-15,29H,1-2,7H2,(H,30,31)
InChIKeyWDJAMFCUZITORN-UHFFFAOYSA-N
XLogP6.03
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 56.03
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-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330364) is N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is Clc1ccc(Nc2cncc(-c3cncc(NCCCc4ccncc4)c3)n2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is WDJAMFCUZITORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6/c24-20-4-3-18(11-21(20)25)30-23-15-28-14-22(31-23)17-10-19(13-27-12-17)29-7-1-2-16-5-8-26-9-6-16/h3-6,8-15,29H,1-2,7H2,(H,30,31).
What are the key properties of N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 451.36 g/mol, XLogP of 6.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).