6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide

C17H17F3N4O3 — CID 34757785

IUPAC6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)ccc1=O
InChIInChI=1S/C17H17F3N4O3/c1-2-9-24-14(25)8-7-13(23-24)16(27)22-12-6-4-3-5-11(12)15(26)21-10-17(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,26)(H,22,27)
InChIKeyWXADWBSBVAAEOM-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.20
Rot. Bonds6

About 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide

6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide (PubChem CID 34757785) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide
PubChem CID34757785
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)ccc1=O
InChIInChI=1S/C17H17F3N4O3/c1-2-9-24-14(25)8-7-13(23-24)16(27)22-12-6-4-3-5-11(12)15(26)21-10-17(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,26)(H,22,27)
InChIKeyWXADWBSBVAAEOM-UHFFFAOYSA-N
XLogP2.20
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 9465629
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide
CID 35275786
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 121066991
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 66179142
methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate
CID 18081327
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55795168
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 55429869

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide (CID 34757785) is 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is WXADWBSBVAAEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-2-9-24-14(25)8-7-13(23-24)16(27)22-12-6-4-3-5-11(12)15(26)21-10-17(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide?
6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 34757785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).