N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H13F2N3O2 — CID 60737083

IUPACN-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NNC(=O)CC1)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2N3O2/c1-7(9-6-8(14)2-3-10(9)15)16-13(20)11-4-5-12(19)18-17-11/h2-3,6-7H,4-5H2,1H3,(H,16,20)(H,18,19)
InChIKeySNCASZZOYNNYAR-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.41
Rot. Bonds3

About N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60737083) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60737083
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NNC(=O)CC1)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2N3O2/c1-7(9-6-8(14)2-3-10(9)15)16-13(20)11-4-5-12(19)18-17-11/h2-3,6-7H,4-5H2,1H3,(H,16,20)(H,18,19)
InChIKeySNCASZZOYNNYAR-UHFFFAOYSA-N
XLogP1.41
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61276301
4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 43358589
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
CID 114327764
5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 62000639
N-(3-chloro-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4539970
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108737152
3-bromo-N-[1-(2,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852163
N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 82016159
2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 60843573
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60737083) is N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(NC(=O)C1=NNC(=O)CC1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is SNCASZZOYNNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-7(9-6-8(14)2-3-10(9)15)16-13(20)11-4-5-12(19)18-17-11/h2-3,6-7H,4-5H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 281.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60737083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).