N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide

C16H15N5O3 — CID 86282589

IUPACN-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide
SMILESCc1noc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)n1
InChIInChI=1S/C16H15N5O3/c1-11-18-16(24-20-11)21(14-4-2-3-9-17-14)10-12-5-7-13(8-6-12)15(22)19-23/h2-9,23H,10H2,1H3,(H,19,22)
InChIKeyDUVRIRNTROCZMI-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.23
Rot. Bonds5

About N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide

N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide (PubChem CID 86282589) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide
PubChem CID86282589
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide
SMILESCc1noc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)n1
InChIInChI=1S/C16H15N5O3/c1-11-18-16(24-20-11)21(14-4-2-3-9-17-14)10-12-5-7-13(8-6-12)15(22)19-23/h2-9,23H,10H2,1H3,(H,19,22)
InChIKeyDUVRIRNTROCZMI-UHFFFAOYSA-N
XLogP2.23
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide (CID 86282589) is N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide is Cc1noc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)n1.
What is the InChIKey of N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide?
The InChIKey is DUVRIRNTROCZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-11-18-16(24-20-11)21(14-4-2-3-9-17-14)10-12-5-7-13(8-6-12)15(22)19-23/h2-9,23H,10H2,1H3,(H,19,22).
What are the key properties of N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide?
N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide has a molecular weight of 325.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide is sourced from PubChem (CID 86282589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).