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

C17H15N5O3 — CID 135618287

IUPACN'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide
SMILESN/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)nc2)o1
InChIInChI=1S/C17H15N5O3/c18-16(21-23)11-3-1-10(2-4-11)13-6-5-12(9-20-13)14-7-8-15(25-14)17(19)22-24/h1-9,23-24H,(H2,18,21)(H2,19,22)
InChIKeyNVUGPGJJBFQEOO-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.20
Rot. Bonds4

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

N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide (PubChem CID 135618287) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide
PubChem CID135618287
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide
SMILESN/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)nc2)o1
InChIInChI=1S/C17H15N5O3/c18-16(21-23)11-3-1-10(2-4-11)13-6-5-12(9-20-13)14-7-8-15(25-14)17(19)22-24/h1-9,23-24H,(H2,18,21)(H2,19,22)
InChIKeyNVUGPGJJBFQEOO-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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide (CID 135618287) is N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide is N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)nc2)o1.
What is the InChIKey of N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide?
The InChIKey is NVUGPGJJBFQEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c18-16(21-23)11-3-1-10(2-4-11)13-6-5-12(9-20-13)14-7-8-15(25-14)17(19)22-24/h1-9,23-24H,(H2,18,21)(H2,19,22).
What are the key properties of N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide?
N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-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-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]furan-2-carboximidamide is sourced from PubChem (CID 135618287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).