5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide

C16H19N5O2 — CID 150821261

IUPAC5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCOc2ccc(/C(N)=N/[H])nc2)cc1
InChIInChI=1S/C16H19N5O2/c17-15(18)11-2-4-12(5-3-11)22-8-1-9-23-13-6-7-14(16(19)20)21-10-13/h2-7,10H,1,8-9H2,(H3,17,18)(H3,19,20)
InChIKeyKJZFVZMQZKOGKB-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.50
Rot. Bonds8

About 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide

5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide (PubChem CID 150821261) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide
PubChem CID150821261
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCOc2ccc(/C(N)=N/[H])nc2)cc1
InChIInChI=1S/C16H19N5O2/c17-15(18)11-2-4-12(5-3-11)22-8-1-9-23-13-6-7-14(16(19)20)21-10-13/h2-7,10H,1,8-9H2,(H3,17,18)(H3,19,20)
InChIKeyKJZFVZMQZKOGKB-UHFFFAOYSA-N
XLogP1.50
TPSA131.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
5-[5-(4-carbamimidoylphenoxy)pentoxy]pyrazine-2-carboximidamide
CID 151192000
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-butoxybenzenecarboximidamide
CID 3015454
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562334
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-octoxybenzenecarboximidamide
CID 3302492
5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
CID 115489787

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide?
The IUPAC name of 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide (CID 150821261) is 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide?
The canonical SMILES for 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(OCCCOc2ccc(/C(N)=N/[H])nc2)cc1.
What is the InChIKey of 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide?
The InChIKey is KJZFVZMQZKOGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-15(18)11-2-4-12(5-3-11)22-8-1-9-23-13-6-7-14(16(19)20)21-10-13/h2-7,10H,1,8-9H2,(H3,17,18)(H3,19,20).
What are the key properties of 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide?
5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide has a molecular weight of 313.36 g/mol, XLogP of 1.50, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide is sourced from PubChem (CID 150821261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).