1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C22H24FN3O3 — CID 55773246

IUPAC1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C22H24FN3O3/c1-16-5-3-4-6-20(16)29-14-13-25(2)22(28)19-11-12-21(27)26(24-19)15-17-7-9-18(23)10-8-17/h3-10H,11-15H2,1-2H3
InChIKeyCBPXXVDBPRZCAG-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.15
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55773246) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55773246
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C22H24FN3O3/c1-16-5-3-4-6-20(16)29-14-13-25(2)22(28)19-11-12-21(27)26(24-19)15-17-7-9-18(23)10-8-17/h3-10H,11-15H2,1-2H3
InChIKeyCBPXXVDBPRZCAG-UHFFFAOYSA-N
XLogP3.15
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide
CID 55739731
N,1-bis[(4-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55771101
1-benzyl-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60559233
1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55771218
1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55737990
1-[(4-fluorophenyl)methyl]-6-oxo-N-(2-propan-2-yloxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 55777519
6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 51117581
2-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]acetic acid
CID 119136384
1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60586169
1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60611449
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 51241769
3-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237029

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55773246) is 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccccc1OCCN(C)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is CBPXXVDBPRZCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-16-5-3-4-6-20(16)29-14-13-25(2)22(28)19-11-12-21(27)26(24-19)15-17-7-9-18(23)10-8-17/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55773246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).