N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C14H15F2N3O2 — CID 24545501

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(C)C(=O)CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O2/c1-8(10-4-3-9(15)7-11(10)16)17-14(21)12-5-6-13(20)19(2)18-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)
InChIKeyMNPIXWDDHCIQSE-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.75
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24545501) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24545501
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(C)C(=O)CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O2/c1-8(10-4-3-9(15)7-11(10)16)17-14(21)12-5-6-13(20)19(2)18-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)
InChIKeyMNPIXWDDHCIQSE-UHFFFAOYSA-N
XLogP1.75
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24545501) is N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(NC(=O)C1=NN(C)C(=O)CC1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is MNPIXWDDHCIQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-8(10-4-3-9(15)7-11(10)16)17-14(21)12-5-6-13(20)19(2)18-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,21).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24545501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).