N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H19FN4O3 — CID 53157463

IUPACN-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O
InChIInChI=1S/C20H19FN4O3/c1-13-4-2-3-5-16(13)23-18(26)12-25-19(27)11-10-17(24-25)20(28)22-15-8-6-14(21)7-9-15/h2-9H,10-12H2,1H3,(H,22,28)(H,23,26)
InChIKeyGWVYMOQRMYHKLP-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.69
Rot. Bonds5

About N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 53157463) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID53157463
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O
InChIInChI=1S/C20H19FN4O3/c1-13-4-2-3-5-16(13)23-18(26)12-25-19(27)11-10-17(24-25)20(28)22-15-8-6-14(21)7-9-15/h2-9H,10-12H2,1H3,(H,22,28)(H,23,26)
InChIKeyGWVYMOQRMYHKLP-UHFFFAOYSA-N
XLogP2.69
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157467
1-(2-anilino-2-oxoethyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157462
1-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53336336
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 53157447
1-[(4-fluorophenyl)methyl]-6-oxo-N-(2-propan-2-yloxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 55777519
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 145131523
N-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554
1-(4-bromophenyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4679749
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 53063709
1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60613178
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 55773974

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 53157463) is N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccccc1NC(=O)CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O.
What is the InChIKey of N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is GWVYMOQRMYHKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-13-4-2-3-5-16(13)23-18(26)12-25-19(27)11-10-17(24-25)20(28)22-15-8-6-14(21)7-9-15/h2-9H,10-12H2,1H3,(H,22,28)(H,23,26).
What are the key properties of N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 53157463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).