N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide

C14H18N4O3 — CID 46190824

IUPACN-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide
SMILESO=C(CCCCCCc1nc(-c2cccnc2)no1)NO
InChIInChI=1S/C14H18N4O3/c19-12(17-20)7-3-1-2-4-8-13-16-14(18-21-13)11-6-5-9-15-10-11/h5-6,9-10,20H,1-4,7-8H2,(H,17,19)
InChIKeyZASVWTCYZRUBTG-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.13
Rot. Bonds8

About N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide

N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide (PubChem CID 46190824) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide
PubChem CID46190824
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide
SMILESO=C(CCCCCCc1nc(-c2cccnc2)no1)NO
InChIInChI=1S/C14H18N4O3/c19-12(17-20)7-3-1-2-4-8-13-16-14(18-21-13)11-6-5-9-15-10-11/h5-6,9-10,20H,1-4,7-8H2,(H,17,19)
InChIKeyZASVWTCYZRUBTG-UHFFFAOYSA-N
XLogP2.13
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide?
The IUPAC name of N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide (CID 46190824) is N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide.
What is the SMILES notation for N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide?
The canonical SMILES for N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide is O=C(CCCCCCc1nc(-c2cccnc2)no1)NO.
What is the InChIKey of N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide?
The InChIKey is ZASVWTCYZRUBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c19-12(17-20)7-3-1-2-4-8-13-16-14(18-21-13)11-6-5-9-15-10-11/h5-6,9-10,20H,1-4,7-8H2,(H,17,19).
What are the key properties of N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide?
N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide has a molecular weight of 290.32 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)heptanamide is sourced from PubChem (CID 46190824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).