N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide

C20H23N5O2 — CID 44585272

IUPACN-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide
SMILESO=C(CCCCCCn1cc(-c2ccc(-c3ccncc3)cc2)nn1)NO
InChIInChI=1S/C20H23N5O2/c26-20(23-27)5-3-1-2-4-14-25-15-19(22-24-25)18-8-6-16(7-9-18)17-10-12-21-13-11-17/h6-13,15,27H,1-5,14H2,(H,23,26)
InChIKeyKYMAKPZTKUPPRK-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.46
Rot. Bonds9

About N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide

N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide (PubChem CID 44585272) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide
PubChem CID44585272
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide
SMILESO=C(CCCCCCn1cc(-c2ccc(-c3ccncc3)cc2)nn1)NO
InChIInChI=1S/C20H23N5O2/c26-20(23-27)5-3-1-2-4-14-25-15-19(22-24-25)18-8-6-16(7-9-18)17-10-12-21-13-11-17/h6-13,15,27H,1-5,14H2,(H,23,26)
InChIKeyKYMAKPZTKUPPRK-UHFFFAOYSA-N
XLogP3.46
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.46
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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Related Compounds

Triazole Ligand, 6a
CID 24881257
Triazole Ligand, 6b
CID 24881328
FNDR-20123 free base
CID 50991199
N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134136275
N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134141860
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[1-(pyridin-2-ylmethyl)triazol-4-yl]phenyl]-1-pyridinyl]butanamide
CID 167458994
Triazole Ligand, 10a
CID 24881330
Triazole Ligand, 10c
CID 24881331
Triazole Ligand, 12b
CID 24881332
Triazole Ligand, 14a
CID 24881402
Triazole Ligand, 14c
CID 24881403
Triazole Ligand, 6c
CID 24881404

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide (CID 44585272) is N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide is O=C(CCCCCCn1cc(-c2ccc(-c3ccncc3)cc2)nn1)NO.
What is the InChIKey of N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide?
The InChIKey is KYMAKPZTKUPPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-20(23-27)5-3-1-2-4-14-25-15-19(22-24-25)18-8-6-16(7-9-18)17-10-12-21-13-11-17/h6-13,15,27H,1-5,14H2,(H,23,26).
What are the key properties of N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide?
N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide has a molecular weight of 365.44 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide is sourced from PubChem (CID 44585272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).