N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C20H18FN3O3 — CID 55799758

IUPACN-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(COc2ccccc2F)c2ccccc2)ccc1=O
InChIInChI=1S/C20H18FN3O3/c1-24-19(25)12-11-16(23-24)20(26)22-17(14-7-3-2-4-8-14)13-27-18-10-6-5-9-15(18)21/h2-12,17H,13H2,1H3,(H,22,26)
InChIKeyAVKGAIOOZZKSNH-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.47
Rot. Bonds6

About N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 55799758) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID55799758
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC(COc2ccccc2F)c2ccccc2)ccc1=O
InChIInChI=1S/C20H18FN3O3/c1-24-19(25)12-11-16(23-24)20(26)22-17(14-7-3-2-4-8-14)13-27-18-10-6-5-9-15(18)21/h2-12,17H,13H2,1H3,(H,22,26)
InChIKeyAVKGAIOOZZKSNH-UHFFFAOYSA-N
XLogP2.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52621902
2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 146083123
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119052898
N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17429467
6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55799779
3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
CID 119735720
methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 94612751
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide
CID 42933561

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 55799758) is N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC(COc2ccccc2F)c2ccccc2)ccc1=O.
What is the InChIKey of N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is AVKGAIOOZZKSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-24-19(25)12-11-16(23-24)20(26)22-17(14-7-3-2-4-8-14)13-27-18-10-6-5-9-15(18)21/h2-12,17H,13H2,1H3,(H,22,26).
What are the key properties of N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55799758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).