5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide

C17H22N6O2 — CID 151192000

IUPAC5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2cnc(/C(N)=N/[H])cn2)cc1
InChIInChI=1S/C17H22N6O2/c18-16(19)12-4-6-13(7-5-12)24-8-2-1-3-9-25-15-11-22-14(10-23-15)17(20)21/h4-7,10-11H,1-3,8-9H2,(H3,18,19)(H3,20,21)
InChIKeyNGMZDKNVDFPJQC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.67
Rot. Bonds10

About 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide

5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide (PubChem CID 151192000) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide
PubChem CID151192000
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2cnc(/C(N)=N/[H])cn2)cc1
InChIInChI=1S/C17H22N6O2/c18-16(19)12-4-6-13(7-5-12)24-8-2-1-3-9-25-15-11-22-14(10-23-15)17(20)21/h4-7,10-11H,1-3,8-9H2,(H3,18,19)(H3,20,21)
InChIKeyNGMZDKNVDFPJQC-UHFFFAOYSA-N
XLogP1.67
TPSA143.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide
CID 150821261
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
4-octoxybenzenecarboximidamide
CID 3302492
4-butoxybenzenecarboximidamide
CID 3015454
4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
CID 146331992
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide?
The IUPAC name of 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide (CID 151192000) is 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide.
What is the SMILES notation for 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide?
The canonical SMILES for 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide is [H]/N=C(\N)c1ccc(OCCCCCOc2cnc(/C(N)=N/[H])cn2)cc1.
What is the InChIKey of 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide?
The InChIKey is NGMZDKNVDFPJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-16(19)12-4-6-13(7-5-12)24-8-2-1-3-9-25-15-11-22-14(10-23-15)17(20)21/h4-7,10-11H,1-3,8-9H2,(H3,18,19)(H3,20,21).
What are the key properties of 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide?
5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide has a molecular weight of 342.40 g/mol, XLogP of 1.67, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide is sourced from PubChem (CID 151192000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).