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

C14H15N3O — CID 152622333

IUPACN-(3-phenylpropyl)pyridazine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccnn1
InChIInChI=1S/C14H15N3O/c18-14(13-9-5-11-16-17-13)15-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,15,18)
InChIKeyZBUATMCZGPUKEK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.84
Rot. Bonds5

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

N-(3-phenylpropyl)pyridazine-3-carboxamide (PubChem CID 152622333) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(3-phenylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)pyridazine-3-carboxamide
PubChem CID152622333
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(3-phenylpropyl)pyridazine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccnn1
InChIInChI=1S/C14H15N3O/c18-14(13-9-5-11-16-17-13)15-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,15,18)
InChIKeyZBUATMCZGPUKEK-UHFFFAOYSA-N
XLogP1.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.84
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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Related Compounds

N-(2-phenylethyl)pyridazine-3-carboxamide
CID 5299221
N-pentylpyridazine-3-carboxamide;hydrochloride
CID 143205726
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
N-propylpyridazine-3-carboxamide
CID 89418818
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 103186748
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
3-phenylpropylurea;hydrochloride
CID 174579396

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-phenylpropyl)pyridazine-3-carboxamide (CID 152622333) is N-(3-phenylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)pyridazine-3-carboxamide is O=C(NCCCc1ccccc1)c1cccnn1.
What is the InChIKey of N-(3-phenylpropyl)pyridazine-3-carboxamide?
The InChIKey is ZBUATMCZGPUKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(13-9-5-11-16-17-13)15-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,15,18).
What are the key properties of N-(3-phenylpropyl)pyridazine-3-carboxamide?
N-(3-phenylpropyl)pyridazine-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 152622333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).