N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide

C20H30N10 — CID 71569229

IUPACN'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide
SMILESN/C(=N\CCCN1CCN(CCC/N=C(\N)c2cnccn2)CC1)c1cnccn1
InChIInChI=1S/C20H30N10/c21-19(17-15-23-5-7-25-17)27-3-1-9-29-11-13-30(14-12-29)10-2-4-28-20(22)18-16-24-6-8-26-18/h5-8,15-16H,1-4,9-14H2,(H2,21,27)(H2,22,28)
InChIKeyPSNWUYMGRUMABQ-UHFFFAOYSA-N
MW410.53 g/mol
LogP-0.22
Rot. Bonds10

About N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide

N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide (PubChem CID 71569229) has the molecular formula C20H30N10 and a molecular weight of 410.53 g/mol. Its IUPAC name is N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide
PubChem CID71569229
Molecular FormulaC20H30N10
Molecular Weight410.53 g/mol
Exact Mass410.27
IUPAC NameN'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide
SMILESN/C(=N\CCCN1CCN(CCC/N=C(\N)c2cnccn2)CC1)c1cnccn1
InChIInChI=1S/C20H30N10/c21-19(17-15-23-5-7-25-17)27-3-1-9-29-11-13-30(14-12-29)10-2-4-28-20(22)18-16-24-6-8-26-18/h5-8,15-16H,1-4,9-14H2,(H2,21,27)(H2,22,28)
InChIKeyPSNWUYMGRUMABQ-UHFFFAOYSA-N
XLogP-0.22
TPSA134.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide?
The IUPAC name of N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide (CID 71569229) is N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide is N/C(=N\CCCN1CCN(CCC/N=C(\N)c2cnccn2)CC1)c1cnccn1.
What is the InChIKey of N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide?
The InChIKey is PSNWUYMGRUMABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N10/c21-19(17-15-23-5-7-25-17)27-3-1-9-29-11-13-30(14-12-29)10-2-4-28-20(22)18-16-24-6-8-26-18/h5-8,15-16H,1-4,9-14H2,(H2,21,27)(H2,22,28).
What are the key properties of N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide?
N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide has a molecular weight of 410.53 g/mol, XLogP of -0.22, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide is sourced from PubChem (CID 71569229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).