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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Related Compounds

2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
CID 66591
Amipizone
CID 68889
6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
CID 5287540
OR-1896
CID 9816296
2(1H)-Quinolinone, 3,4-dihydro-6-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-
CID 5746185
(5R)-6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 10340179
6-{4-[(2-Benzyl-3-oxocyclohex-1-en-1-yl)amino]-2-fluorophenyl}-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 11596587
(5R)-6-[4-({2-[(3-fluorophenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647035
6-{4-[(2-Benzyl-3-oxocyclohex-1-en-1-yl)amino]-3-fluorophenyl}-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647046
3,3-dimethyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one
CID 10084561
3-[4-[[2-[(3-iodophenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 21158737
N-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 947831

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).