N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C22H22FN3O4 — CID 31327419

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1F
InChIInChI=1S/C22H22FN3O4/c1-25(15-16-8-10-20(29-2)18(23)14-16)22(28)19-9-11-21(27)26(24-19)12-13-30-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3
InChIKeyMEMURQQZMFTUIA-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.74
Rot. Bonds8

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 31327419) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID31327419
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1F
InChIInChI=1S/C22H22FN3O4/c1-25(15-16-8-10-20(29-2)18(23)14-16)22(28)19-9-11-21(27)26(24-19)12-13-30-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3
InChIKeyMEMURQQZMFTUIA-UHFFFAOYSA-N
XLogP2.74
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 51143596
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
N-[(3-ethoxy-4-propoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)-N-propylpyridazine-3-carboxamide
CID 55429841
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55688997
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 30539309
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 31327419) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is COc1ccc(CN(C)C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is MEMURQQZMFTUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-25(15-16-8-10-20(29-2)18(23)14-16)22(28)19-9-11-21(27)26(24-19)12-13-30-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 31327419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).