7-(dipyridin-2-ylamino)-N-hydroxyheptanamide

C17H22N4O2 — CID 46852450

IUPAC7-(dipyridin-2-ylamino)-N-hydroxyheptanamide
SMILESO=C(CCCCCCN(c1ccccn1)c1ccccn1)NO
InChIInChI=1S/C17H22N4O2/c22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16/h4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22)
InChIKeyQKTORDWLHYWRJF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds9

About 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide

7-(dipyridin-2-ylamino)-N-hydroxyheptanamide (PubChem CID 46852450) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(dipyridin-2-ylamino)-N-hydroxyheptanamide
PubChem CID46852450
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name7-(dipyridin-2-ylamino)-N-hydroxyheptanamide
SMILESO=C(CCCCCCN(c1ccccn1)c1ccccn1)NO
InChIInChI=1S/C17H22N4O2/c22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16/h4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22)
InChIKeyQKTORDWLHYWRJF-UHFFFAOYSA-N
XLogP3.07
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide?
The IUPAC name of 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide (CID 46852450) is 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide.
What is the SMILES notation for 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide?
The canonical SMILES for 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide is O=C(CCCCCCN(c1ccccn1)c1ccccn1)NO.
What is the InChIKey of 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide?
The InChIKey is QKTORDWLHYWRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16/h4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22).
What are the key properties of 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide?
7-(dipyridin-2-ylamino)-N-hydroxyheptanamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide is sourced from PubChem (CID 46852450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).