5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide

C17H17N5O2Se — CID 143794129

IUPAC5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ccc(-c2ccc(-c3ccc(C(N)NO)cc3)[se]2)cn1
InChIInChI=1S/C17H17N5O2Se/c18-16(21-23)11-3-1-10(2-4-11)14-7-8-15(25-14)12-5-6-13(20-9-12)17(19)22-24/h1-9,16,21,23-24H,18H2,(H2,19,22)
InChIKeyFZXAGLNQNVHMKI-UHFFFAOYSA-N
MW402.32 g/mol
LogP1.50
Rot. Bonds5

About 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide

5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 143794129) has the molecular formula C17H17N5O2Se and a molecular weight of 402.32 g/mol. Its IUPAC name is 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID143794129
Molecular FormulaC17H17N5O2Se
Molecular Weight402.32 g/mol
Exact Mass403.05
IUPAC Name5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ccc(-c2ccc(-c3ccc(C(N)NO)cc3)[se]2)cn1
InChIInChI=1S/C17H17N5O2Se/c18-16(21-23)11-3-1-10(2-4-11)14-7-8-15(25-14)12-5-6-13(20-9-12)17(19)22-24/h1-9,16,21,23-24H,18H2,(H2,19,22)
InChIKeyFZXAGLNQNVHMKI-UHFFFAOYSA-N
XLogP1.50
TPSA129.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 51.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
CID 172920316
N'-hydroxy-4-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]selenophen-2-yl]benzenecarboximidamide
CID 140559080
5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247
[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]boronic acid
CID 168994832
N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide
CID 136990967
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 135949149
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide
CID 136660056
N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
CID 136990925
5-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136766533
N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide
CID 137095860
5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990709

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide (CID 143794129) is 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide is N/C(=N\O)c1ccc(-c2ccc(-c3ccc(C(N)NO)cc3)[se]2)cn1.
What is the InChIKey of 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is FZXAGLNQNVHMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2Se/c18-16(21-23)11-3-1-10(2-4-11)14-7-8-15(25-14)12-5-6-13(20-9-12)17(19)22-24/h1-9,16,21,23-24H,18H2,(H2,19,22).
What are the key properties of 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide?
5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 402.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-[amino-(hydroxyamino)methyl]phenyl]selenophen-2-yl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 143794129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).