N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine

C21H19N5O — CID 144782546

IUPACN'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine
SMILESc1coc(-c2ccc(-c3nccnc3NCCNc3ccncc3)cc2)c1
InChIInChI=1S/C21H19N5O/c1-2-19(27-15-1)16-3-5-17(6-4-16)20-21(26-14-12-24-20)25-13-11-23-18-7-9-22-10-8-18/h1-10,12,14-15H,11,13H2,(H,22,23)(H,25,26)
InChIKeyJHLWJACGPAUTQX-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.32
Rot. Bonds7

About N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine

N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine (PubChem CID 144782546) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine
PubChem CID144782546
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine
SMILESc1coc(-c2ccc(-c3nccnc3NCCNc3ccncc3)cc2)c1
InChIInChI=1S/C21H19N5O/c1-2-19(27-15-1)16-3-5-17(6-4-16)20-21(26-14-12-24-20)25-13-11-23-18-7-9-22-10-8-18/h1-10,12,14-15H,11,13H2,(H,22,23)(H,25,26)
InChIKeyJHLWJACGPAUTQX-UHFFFAOYSA-N
XLogP4.32
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.32
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-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine (CID 144782546) is N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine is c1coc(-c2ccc(-c3nccnc3NCCNc3ccncc3)cc2)c1.
What is the InChIKey of N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine?
The InChIKey is JHLWJACGPAUTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-19(27-15-1)16-3-5-17(6-4-16)20-21(26-14-12-24-20)25-13-11-23-18-7-9-22-10-8-18/h1-10,12,14-15H,11,13H2,(H,22,23)(H,25,26).
What are the key properties of N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine?
N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine has a molecular weight of 357.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(furan-2-yl)phenyl]pyrazin-2-yl]-N-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 144782546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).