N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide

C17H22N6O4 — CID 135878416

IUPACN'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide
SMILESN/C(=N\O)c1cccc(OCCCCCOc2cccc(/C(N)=N/O)n2)n1
InChIInChI=1S/C17H22N6O4/c18-16(22-24)12-6-4-8-14(20-12)26-10-2-1-3-11-27-15-9-5-7-13(21-15)17(19)23-25/h4-9,24-25H,1-3,10-11H2,(H2,18,22)(H2,19,23)
InChIKeyOQKUMUKTNUIQCY-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.29
Rot. Bonds10

About N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide

N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide (PubChem CID 135878416) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide
PubChem CID135878416
Molecular FormulaC17H22N6O4
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC NameN'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide
SMILESN/C(=N\O)c1cccc(OCCCCCOc2cccc(/C(N)=N/O)n2)n1
InChIInChI=1S/C17H22N6O4/c18-16(22-24)12-6-4-8-14(20-12)26-10-2-1-3-11-27-15-9-5-7-13(21-15)17(19)23-25/h4-9,24-25H,1-3,10-11H2,(H2,18,22)(H2,19,23)
InChIKeyOQKUMUKTNUIQCY-UHFFFAOYSA-N
XLogP1.29
TPSA161.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.29
H-Bond Donors ≤ 54
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide (CID 135878416) is N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide is N/C(=N\O)c1cccc(OCCCCCOc2cccc(/C(N)=N/O)n2)n1.
What is the InChIKey of N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide?
The InChIKey is OQKUMUKTNUIQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4/c18-16(22-24)12-6-4-8-14(20-12)26-10-2-1-3-11-27-15-9-5-7-13(21-15)17(19)23-25/h4-9,24-25H,1-3,10-11H2,(H2,18,22)(H2,19,23).
What are the key properties of N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide?
N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide has a molecular weight of 374.40 g/mol, XLogP of 1.29, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[5-[[6-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide is sourced from PubChem (CID 135878416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).