1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide

C15H17N3O3 — CID 25474489

IUPAC1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccccc2O)ccc1=O
InChIInChI=1S/C15H17N3O3/c1-2-3-10-18-14(20)9-8-12(17-18)15(21)16-11-6-4-5-7-13(11)19/h4-9,19H,2-3,10H2,1H3,(H,16,21)
InChIKeyHTQMJIOGALLLRG-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.00
Rot. Bonds5

About 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 25474489) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID25474489
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccccc2O)ccc1=O
InChIInChI=1S/C15H17N3O3/c1-2-3-10-18-14(20)9-8-12(17-18)15(21)16-11-6-4-5-7-13(11)19/h4-9,19H,2-3,10H2,1H3,(H,16,21)
InChIKeyHTQMJIOGALLLRG-UHFFFAOYSA-N
XLogP2.00
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 47025477
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide
CID 35275786
1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 32559088
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510
1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161972
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 35565819
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide (CID 25474489) is 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccccc2O)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is HTQMJIOGALLLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-3-10-18-14(20)9-8-12(17-18)15(21)16-11-6-4-5-7-13(11)19/h4-9,19H,2-3,10H2,1H3,(H,16,21).
What are the key properties of 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 25474489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).