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

C23H21ClN6 — CID 5330363

IUPACN-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1ccc(Nc2cncc(-c3cncc(NCCCc4ccncc4)c3)n2)cc1
InChIInChI=1S/C23H21ClN6/c24-19-3-5-20(6-4-19)29-23-16-27-15-22(30-23)18-12-21(14-26-13-18)28-9-1-2-17-7-10-25-11-8-17/h3-8,10-16,28H,1-2,9H2,(H,29,30)
InChIKeyYKNBMORIVLLGGL-UHFFFAOYSA-N
MW416.92 g/mol
LogP5.38
Rot. Bonds8

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

N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330363) has the molecular formula C23H21ClN6 and a molecular weight of 416.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330363
Molecular FormulaC23H21ClN6
Molecular Weight416.92 g/mol
Exact Mass416.15
IUPAC NameN-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1ccc(Nc2cncc(-c3cncc(NCCCc4ccncc4)c3)n2)cc1
InChIInChI=1S/C23H21ClN6/c24-19-3-5-20(6-4-19)29-23-16-27-15-22(30-23)18-12-21(14-26-13-18)28-9-1-2-17-7-10-25-11-8-17/h3-8,10-16,28H,1-2,9H2,(H,29,30)
InChIKeyYKNBMORIVLLGGL-UHFFFAOYSA-N
XLogP5.38
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.92
LogP ≤ 55.38
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-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330363) is N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is Clc1ccc(Nc2cncc(-c3cncc(NCCCc4ccncc4)c3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is YKNBMORIVLLGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6/c24-19-3-5-20(6-4-19)29-23-16-27-15-22(30-23)18-12-21(14-26-13-18)28-9-1-2-17-7-10-25-11-8-17/h3-8,10-16,28H,1-2,9H2,(H,29,30).
What are the key properties of N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 416.92 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[5-(3-pyridin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).