N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C26H22FN3O4 — CID 55413362

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1
InChIInChI=1S/C26H22FN3O4/c1-3-33-18-12-14-19(15-13-18)34-24-11-7-5-9-21(24)28-26(32)25-23(31)16-17(2)30(29-25)22-10-6-4-8-20(22)27/h4-16H,3H2,1-2H3,(H,28,32)
InChIKeyZTFUAAVEKUEQFS-UHFFFAOYSA-N
MW459.48 g/mol
LogP5.12
Rot. Bonds7

About N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 55413362) has the molecular formula C26H22FN3O4 and a molecular weight of 459.48 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID55413362
Molecular FormulaC26H22FN3O4
Molecular Weight459.48 g/mol
Exact Mass459.16
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1
InChIInChI=1S/C26H22FN3O4/c1-3-33-18-12-14-19(15-13-18)34-24-11-7-5-9-21(24)28-26(32)25-23(31)16-17(2)30(29-25)22-10-6-4-8-20(22)27/h4-16H,3H2,1-2H3,(H,28,32)
InChIKeyZTFUAAVEKUEQFS-UHFFFAOYSA-N
XLogP5.12
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55888338
N-[(2-ethoxyphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60565851
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46636739
N-(5-cyano-2-methoxyphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 49182482
N-[4-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9084555
N-(4-ethoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7678289
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 55750161
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 26687881
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 56572917
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-thiophen-2-ylphenyl)pyridazine-3-carboxamide
CID 18284299
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 17461236
N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 42023057

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 55413362) is N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is CCOc1ccc(Oc2ccccc2NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is ZTFUAAVEKUEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O4/c1-3-33-18-12-14-19(15-13-18)34-24-11-7-5-9-21(24)28-26(32)25-23(31)16-17(2)30(29-25)22-10-6-4-8-20(22)27/h4-16H,3H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55413362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).