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

C26H23FN4O3 — CID 55779299

IUPACN-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC(C(=O)Nc1ccccc1)c1ccccc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C26H23FN4O3/c27-20-13-11-18(12-14-20)17-31-23(32)16-15-22(30-31)25(33)29-24(19-7-3-1-4-8-19)26(34)28-21-9-5-2-6-10-21/h1-14,24H,15-17H2,(H,28,34)(H,29,33)
InChIKeyARTXSMRIHIYBMA-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.80
Rot. Bonds7

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

N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55779299) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55779299
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC NameN-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC(C(=O)Nc1ccccc1)c1ccccc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C26H23FN4O3/c27-20-13-11-18(12-14-20)17-31-23(32)16-15-22(30-31)25(33)29-24(19-7-3-1-4-8-19)26(34)28-21-9-5-2-6-10-21/h1-14,24H,15-17H2,(H,28,34)(H,29,33)
InChIKeyARTXSMRIHIYBMA-UHFFFAOYSA-N
XLogP3.80
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55765041
2-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]acetic acid
CID 119136384
1-(2-anilino-2-oxoethyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157462
1-[(4-fluorophenyl)methyl]-6-oxo-N-(2-propan-2-yloxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 55777519
3-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237029
4-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229584
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 55773974
1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60613178
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119213268
N-(2-anilino-2-oxo-1-phenylethyl)-3-(4-fluorophenyl)propanamide
CID 55779002
2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55912566
N-[2-(3,5-difluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60610295

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55779299) is N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(NC(C(=O)Nc1ccccc1)c1ccccc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1.
What is the InChIKey of N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ARTXSMRIHIYBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c27-20-13-11-18(12-14-20)17-31-23(32)16-15-22(30-31)25(33)29-24(19-7-3-1-4-8-19)26(34)28-21-9-5-2-6-10-21/h1-14,24H,15-17H2,(H,28,34)(H,29,33).
What are the key properties of N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55779299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).