2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide

C17H18FN5O4 — CID 8532263

IUPAC2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1cc(=O)c(C(=O)NNC(=O)C(=O)NC(C)C)nn1-c1ccccc1F
InChIInChI=1S/C17H18FN5O4/c1-9(2)19-16(26)17(27)21-20-15(25)14-13(24)8-10(3)23(22-14)12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H,19,26)(H,20,25)(H,21,27)
InChIKeyXOCQIUXZSOMSDU-UHFFFAOYSA-N
MW375.36 g/mol
LogP-0.03
Rot. Bonds3

About 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 8532263) has the molecular formula C17H18FN5O4 and a molecular weight of 375.36 g/mol. Its IUPAC name is 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID8532263
Molecular FormulaC17H18FN5O4
Molecular Weight375.36 g/mol
Exact Mass375.13
IUPAC Name2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1cc(=O)c(C(=O)NNC(=O)C(=O)NC(C)C)nn1-c1ccccc1F
InChIInChI=1S/C17H18FN5O4/c1-9(2)19-16(26)17(27)21-20-15(25)14-13(24)8-10(3)23(22-14)12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H,19,26)(H,20,25)(H,21,27)
InChIKeyXOCQIUXZSOMSDU-UHFFFAOYSA-N
XLogP-0.03
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9091973
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]pyridazine-3-carboxamide
CID 51924968
(2S)-2-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119360996
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088640
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 26687881
1-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]-3-propan-2-ylthiourea
CID 24502778
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
N-[4-(4-bromophenyl)butan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60566439
1-(2-fluorophenyl)-6-methyl-N-(4-methylsulfanylphenyl)-4-oxopyridazine-3-carboxamide
CID 9180345
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 8532263) is 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide is Cc1cc(=O)c(C(=O)NNC(=O)C(=O)NC(C)C)nn1-c1ccccc1F.
What is the InChIKey of 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is XOCQIUXZSOMSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O4/c1-9(2)19-16(26)17(27)21-20-15(25)14-13(24)8-10(3)23(22-14)12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H,19,26)(H,20,25)(H,21,27).
What are the key properties of 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 375.36 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 8532263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).