6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid

C23H23N3O3 — CID 24948911

IUPAC6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc(C(=O)CCCCCCc3ccccc3)nn2)n1
InChIInChI=1S/C23H23N3O3/c27-22(14-7-2-1-4-9-17-10-5-3-6-11-17)20-16-15-19(25-26-20)18-12-8-13-21(24-18)23(28)29/h3,5-6,8,10-13,15-16H,1-2,4,7,9,14H2,(H,28,29)
InChIKeyJTAZQINSUWGXJN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.61
Rot. Bonds10

About 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid

6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid (PubChem CID 24948911) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid
PubChem CID24948911
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc(C(=O)CCCCCCc3ccccc3)nn2)n1
InChIInChI=1S/C23H23N3O3/c27-22(14-7-2-1-4-9-17-10-5-3-6-11-17)20-16-15-19(25-26-20)18-12-8-13-21(24-18)23(28)29/h3,5-6,8,10-13,15-16H,1-2,4,7,9,14H2,(H,28,29)
InChIKeyJTAZQINSUWGXJN-UHFFFAOYSA-N
XLogP4.61
TPSA93.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid (CID 24948911) is 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2ccc(C(=O)CCCCCCc3ccccc3)nn2)n1.
What is the InChIKey of 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid?
The InChIKey is JTAZQINSUWGXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(14-7-2-1-4-9-17-10-5-3-6-11-17)20-16-15-19(25-26-20)18-12-8-13-21(24-18)23(28)29/h3,5-6,8,10-13,15-16H,1-2,4,7,9,14H2,(H,28,29).
What are the key properties of 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid?
6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid has a molecular weight of 389.46 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(7-phenylheptanoyl)pyridazin-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 24948911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).