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

C13H14FN3O2 — CID 43397517

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H14FN3O2/c1-17(8-9-4-2-3-5-10(9)14)13(19)11-6-7-12(18)16-15-11/h2-5H,6-8H2,1H3,(H,16,18)
InChIKeyGJVWOLACRMFNIE-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.05
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43397517) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43397517
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H14FN3O2/c1-17(8-9-4-2-3-5-10(9)14)13(19)11-6-7-12(18)16-15-11/h2-5H,6-8H2,1H3,(H,16,18)
InChIKeyGJVWOLACRMFNIE-UHFFFAOYSA-N
XLogP1.05
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60628551
N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756
N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60960333
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60701418
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 55729757
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60959401
N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56722201

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43397517) is N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CN(Cc1ccccc1F)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is GJVWOLACRMFNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-17(8-9-4-2-3-5-10(9)14)13(19)11-6-7-12(18)16-15-11/h2-5H,6-8H2,1H3,(H,16,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43397517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).