N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide

C17H15N5O3 — CID 135447764

IUPACN'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
SMILESN/C(=N/O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cn3)o2)cc1
InChIInChI=1S/C17H15N5O3/c18-16(21-23)11-3-1-10(2-4-11)14-7-8-15(25-14)13-6-5-12(9-20-13)17(19)22-24/h1-9,23-24H,(H2,18,21)(H2,19,22)
InChIKeyPWQXNELAQYAVRT-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.20
Rot. Bonds4

About N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide

N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide (PubChem CID 135447764) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
PubChem CID135447764
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
SMILESN/C(=N/O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cn3)o2)cc1
InChIInChI=1S/C17H15N5O3/c18-16(21-23)11-3-1-10(2-4-11)14-7-8-15(25-14)13-6-5-12(9-20-13)17(19)22-24/h1-9,23-24H,(H2,18,21)(H2,19,22)
InChIKeyPWQXNELAQYAVRT-UHFFFAOYSA-N
XLogP2.20
TPSA143.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N'-hydroxy-6-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135676648
N'-hydroxy-6-[5-[3-(N'-hydroxycarbamimidoyl)phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 172928997
N'-hydroxy-6-[4-[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]phenyl]pyridine-3-carboximidamide;hydrochloride
CID 135407885
N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
CID 172920316
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
CID 135949114
N'-hydroxy-4-(4-hydroxyphenyl)benzenecarboximidamide
CID 4071161
N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide
CID 177181235
[(E)-[[4-[5-[6-[(E)-N'-acetyloxycarbamimidoyl]-3-pyridinyl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 11069852
N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide
CID 89033049
N'-[(4-chlorophenyl)methyl]-4-[5-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
CID 169205783
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide (CID 135447764) is N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide is N/C(=N/O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cn3)o2)cc1.
What is the InChIKey of N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide?
The InChIKey is PWQXNELAQYAVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c18-16(21-23)11-3-1-10(2-4-11)14-7-8-15(25-14)13-6-5-12(9-20-13)17(19)22-24/h1-9,23-24H,(H2,18,21)(H2,19,22).
What are the key properties of N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide?
N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide has a molecular weight of 337.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 135447764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).