N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C20H18FN3O2 — CID 42161937

IUPACN-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O2/c1-2-15-7-3-4-9-17(15)22-20(26)18-10-11-19(25)24(23-18)13-14-6-5-8-16(21)12-14/h3-12H,2,13H2,1H3,(H,22,26)
InChIKeyNGGGZRCGDMSUKT-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.25
Rot. Bonds5

About N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 42161937) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID42161937
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O2/c1-2-15-7-3-4-9-17(15)22-20(26)18-10-11-19(25)24(23-18)13-14-6-5-8-16(21)12-14/h3-12H,2,13H2,1H3,(H,22,26)
InChIKeyNGGGZRCGDMSUKT-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 31287347
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671048
1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 4815678
N-(2-ethylphenyl)-5-[(3-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53029178
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
CID 121067000
1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474
6-N-(2-ethylphenyl)-2-N-(3-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100559
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 42994663

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 42161937) is N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is CCc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1.
What is the InChIKey of N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is NGGGZRCGDMSUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-2-15-7-3-4-9-17(15)22-20(26)18-10-11-19(25)24(23-18)13-14-6-5-8-16(21)12-14/h3-12H,2,13H2,1H3,(H,22,26).
What are the key properties of N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).