6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide

C18H22N4O3 — CID 53157453

IUPAC6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=NN(CC(=O)N2CCCCC2)C(=O)CC1
InChIInChI=1S/C18H22N4O3/c23-16-10-9-15(18(25)19-14-7-3-1-4-8-14)20-22(16)13-17(24)21-11-5-2-6-12-21/h1,3-4,7-8H,2,5-6,9-13H2,(H,19,25)
InChIKeyFDSUFXTZAQCQDJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.62
Rot. Bonds4

About 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide

6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 53157453) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID53157453
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=NN(CC(=O)N2CCCCC2)C(=O)CC1
InChIInChI=1S/C18H22N4O3/c23-16-10-9-15(18(25)19-14-7-3-1-4-8-14)20-22(16)13-17(24)21-11-5-2-6-12-21/h1,3-4,7-8H,2,5-6,9-13H2,(H,19,25)
InChIKeyFDSUFXTZAQCQDJ-UHFFFAOYSA-N
XLogP1.62
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 16348411
N-(4-Fluorophenyl)-1-[N'-(1-methylpiperidin-4-ylidene)hydrazinecarbonyl]formamide
CID 2855032
N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 3929572
2-Methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4877028
4-[1-(3-Methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 4884436
N-(2-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5025288
N-(2-Acetylamino-phenyl)-3-[(2-oxo-2-piperidin-1-yl-acetyl)-hydrazono]-butyramide
CID 9594115
N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 16262858
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 16305062
6-({3-[(4-isopropylphenyl)amino]-1-piperidinyl}carbonyl)-2-methyl-4,5-dihydro-3(2H)-pyridazinone
CID 24817179
1-butyl-N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide
CID 2461863

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 53157453) is 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccccc1)C1=NN(CC(=O)N2CCCCC2)C(=O)CC1.
What is the InChIKey of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FDSUFXTZAQCQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16-10-9-15(18(25)19-14-7-3-1-4-8-14)20-22(16)13-17(24)21-11-5-2-6-12-21/h1,3-4,7-8H,2,5-6,9-13H2,(H,19,25).
What are the key properties of 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 53157453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).