N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide

C16H14N6O3 — CID 172920316

IUPACN'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)nc3)o2)cn1
InChIInChI=1S/C16H14N6O3/c17-15(21-23)11-3-1-9(7-19-11)13-5-6-14(25-13)10-2-4-12(20-8-10)16(18)22-24/h1-8,23-24H,(H2,17,21)(H2,18,22)
InChIKeyXNGXPPQPJOKVMP-UHFFFAOYSA-N
MW338.33 g/mol
LogP1.59
Rot. Bonds4

About N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide

N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide (PubChem CID 172920316) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
PubChem CID172920316
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC NameN'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)nc3)o2)cn1
InChIInChI=1S/C16H14N6O3/c17-15(21-23)11-3-1-9(7-19-11)13-5-6-14(25-13)10-2-4-12(20-8-10)16(18)22-24/h1-8,23-24H,(H2,17,21)(H2,18,22)
InChIKeyXNGXPPQPJOKVMP-UHFFFAOYSA-N
XLogP1.59
TPSA156.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

Analyze N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-[[4-[5-[6-[(E)-N'-acetyloxycarbamimidoyl]-3-pyridinyl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 11069852
N'-hydroxy-6-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135676648
N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135447764
[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]boronic acid
CID 168994832
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 135949149
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
N'-[4-[5-[4-[[amino(pyrazin-2-yl)methylidene]amino]phenyl]furan-2-yl]phenyl]pyrazine-2-carboximidamide
CID 56675392
5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247
N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
CID 136990925
5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide
CID 143794129
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272
N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide
CID 136990967

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide (CID 172920316) is N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide is NC(=NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)nc3)o2)cn1.
What is the InChIKey of N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide?
The InChIKey is XNGXPPQPJOKVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c17-15(21-23)11-3-1-9(7-19-11)13-5-6-14(25-13)10-2-4-12(20-8-10)16(18)22-24/h1-8,23-24H,(H2,17,21)(H2,18,22).
What are the key properties of N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide?
N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide has a molecular weight of 338.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 172920316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).