6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C14H17N3O2 — CID 2814945

IUPAC6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H17N3O2/c1-9(2)10-3-5-11(6-4-10)15-14(19)12-7-8-13(18)17-16-12/h3-6,9H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyIRPXOHZAVWUUKE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.01
Rot. Bonds3

About 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 2814945) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID2814945
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H17N3O2/c1-9(2)10-3-5-11(6-4-10)15-14(19)12-7-8-13(18)17-16-12/h3-6,9H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyIRPXOHZAVWUUKE-UHFFFAOYSA-N
XLogP2.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 2814945) is 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1.
What is the InChIKey of 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is IRPXOHZAVWUUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)10-3-5-11(6-4-10)15-14(19)12-7-8-13(18)17-16-12/h3-6,9H,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 2814945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).