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

C14H14F3N3O3 — CID 24586575

IUPAC1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCc2ccccc2OC(F)(F)F)CCC1=O
InChIInChI=1S/C14H14F3N3O3/c1-20-12(21)7-6-10(19-20)13(22)18-8-9-4-2-3-5-11(9)23-14(15,16)17/h2-5H,6-8H2,1H3,(H,18,22)
InChIKeyANXABBXQNQLWKT-UHFFFAOYSA-N
MW329.28 g/mol
LogP1.81
Rot. Bonds4

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

1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24586575) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID24586575
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC Name1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCc2ccccc2OC(F)(F)F)CCC1=O
InChIInChI=1S/C14H14F3N3O3/c1-20-12(21)7-6-10(19-20)13(22)18-8-9-4-2-3-5-11(9)23-14(15,16)17/h2-5H,6-8H2,1H3,(H,18,22)
InChIKeyANXABBXQNQLWKT-UHFFFAOYSA-N
XLogP1.81
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 38259393
1-methyl-6-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24548648
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47043186
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 48735006
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 49089770
1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24547280
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 121025333
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 5166942
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide (CID 24586575) is 1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCc2ccccc2OC(F)(F)F)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ANXABBXQNQLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c1-20-12(21)7-6-10(19-20)13(22)18-8-9-4-2-3-5-11(9)23-14(15,16)17/h2-5H,6-8H2,1H3,(H,18,22).
What are the key properties of 1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 329.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24586575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).