N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H22FN3O3 — CID 55783925

IUPACN-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1
InChIInChI=1S/C21H22FN3O3/c1-2-28-18-5-3-4-16(12-18)13-23-21(27)19-10-11-20(26)25(24-19)14-15-6-8-17(22)9-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,23,27)
InChIKeyJQQDREZTNUBNMV-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.02
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55783925) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55783925
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1
InChIInChI=1S/C21H22FN3O3/c1-2-28-18-5-3-4-16(12-18)13-23-21(27)19-10-11-20(26)25(24-19)14-15-6-8-17(22)9-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,23,27)
InChIKeyJQQDREZTNUBNMV-UHFFFAOYSA-N
XLogP3.02
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800342
1-[(4-fluorophenyl)methyl]-6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55777486
1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60611449
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55739706
2-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]acetic acid
CID 119136384
1-[(4-fluorophenyl)methyl]-N-[2-(4-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55772635
N-[2-(3,5-difluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60610295
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55802024
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55764914
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55978031
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800742

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55783925) is N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCOc1cccc(CNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is JQQDREZTNUBNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-2-28-18-5-3-4-16(12-18)13-23-21(27)19-10-11-20(26)25(24-19)14-15-6-8-17(22)9-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,23,27).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55783925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).