N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide

C14H19N5O2 — CID 44585347

IUPACN-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide
SMILESO=C(CCCCCCn1cc(-c2ccccn2)nn1)NO
InChIInChI=1S/C14H19N5O2/c20-14(17-21)8-3-1-2-6-10-19-11-13(16-18-19)12-7-4-5-9-15-12/h4-5,7,9,11,21H,1-3,6,8,10H2,(H,17,20)
InChIKeyBLWXEHLAHDBATF-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.80
Rot. Bonds8

About N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide

N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide (PubChem CID 44585347) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide
PubChem CID44585347
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide
SMILESO=C(CCCCCCn1cc(-c2ccccn2)nn1)NO
InChIInChI=1S/C14H19N5O2/c20-14(17-21)8-3-1-2-6-10-19-11-13(16-18-19)12-7-4-5-9-15-12/h4-5,7,9,11,21H,1-3,6,8,10H2,(H,17,20)
InChIKeyBLWXEHLAHDBATF-UHFFFAOYSA-N
XLogP1.80
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.80
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-(4-pyridin-2-yltriazol-1-yl)heptanamide?
The IUPAC name of N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide (CID 44585347) is N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide.
What is the SMILES notation for N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide?
The canonical SMILES for N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide is O=C(CCCCCCn1cc(-c2ccccn2)nn1)NO.
What is the InChIKey of N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide?
The InChIKey is BLWXEHLAHDBATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-14(17-21)8-3-1-2-6-10-19-11-13(16-18-19)12-7-4-5-9-15-12/h4-5,7,9,11,21H,1-3,6,8,10H2,(H,17,20).
What are the key properties of N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide?
N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide has a molecular weight of 289.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(4-pyridin-2-yltriazol-1-yl)heptanamide is sourced from PubChem (CID 44585347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).