1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide

C19H24N4O3 — CID 51159238

IUPAC1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)N3CCC(C(N)=O)CC3)CCC2=O)c1
InChIInChI=1S/C19H24N4O3/c1-12-3-4-13(2)16(11-12)23-17(24)6-5-15(21-23)19(26)22-9-7-14(8-10-22)18(20)25/h3-4,11,14H,5-10H2,1-2H3,(H2,20,25)
InChIKeyAMOSLNXLMVTYPO-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.51
Rot. Bonds3

About 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide

1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 51159238) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide
PubChem CID51159238
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)N3CCC(C(N)=O)CC3)CCC2=O)c1
InChIInChI=1S/C19H24N4O3/c1-12-3-4-13(2)16(11-12)23-17(24)6-5-15(21-23)19(26)22-9-7-14(8-10-22)18(20)25/h3-4,11,14H,5-10H2,1-2H3,(H2,20,25)
InChIKeyAMOSLNXLMVTYPO-UHFFFAOYSA-N
XLogP1.51
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 46601357
2-(2,5-dimethylphenyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 33234783
6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one
CID 112836731
2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4883772
6-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one
CID 55877622
2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 78768674
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
1-(2,5-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46519529
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51153065
2-(2,5-dimethylphenyl)-6-[4-(3-nitrophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55742980
N-[(1S)-1-cyclopropylethyl]-1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 97005499
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 27265573

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide (CID 51159238) is 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)N3CCC(C(N)=O)CC3)CCC2=O)c1.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is AMOSLNXLMVTYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-3-4-13(2)16(11-12)23-17(24)6-5-15(21-23)19(26)22-9-7-14(8-10-22)18(20)25/h3-4,11,14H,5-10H2,1-2H3,(H2,20,25).
What are the key properties of 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide?
1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 51159238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).