6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide

C14H14ClN3O — CID 54931495

IUPAC6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(Cl)nn1
InChIInChI=1S/C14H14ClN3O/c15-13-9-8-12(17-18-13)14(19)16-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,16,19)
InChIKeyHMBXMCMAECQILL-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.49
Rot. Bonds5

About 6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide

6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide (PubChem CID 54931495) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide
PubChem CID54931495
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(Cl)nn1
InChIInChI=1S/C14H14ClN3O/c15-13-9-8-12(17-18-13)14(19)16-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,16,19)
InChIKeyHMBXMCMAECQILL-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide (CID 54931495) is 6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide is O=C(NCCCc1ccccc1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide?
The InChIKey is HMBXMCMAECQILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-13-9-8-12(17-18-13)14(19)16-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,16,19).
What are the key properties of 6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide?
6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-phenylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 54931495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).