1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide

C20H26N4O3 — CID 6624436

IUPAC1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C2=NN(CCC(=O)N3CCC(C(N)=O)CC3)C(=O)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-14-2-4-15(5-3-14)17-6-7-19(26)24(22-17)13-10-18(25)23-11-8-16(9-12-23)20(21)27/h2-5,16H,6-13H2,1H3,(H2,21,27)
InChIKeyGKLQLHRBWOIWCE-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.44
Rot. Bonds5

About 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide

1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 6624436) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide
PubChem CID6624436
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C2=NN(CCC(=O)N3CCC(C(N)=O)CC3)C(=O)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-14-2-4-15(5-3-14)17-6-7-19(26)24(22-17)13-10-18(25)23-11-8-16(9-12-23)20(21)27/h2-5,16H,6-13H2,1H3,(H2,21,27)
InChIKeyGKLQLHRBWOIWCE-UHFFFAOYSA-N
XLogP1.44
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide (CID 6624436) is 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide is Cc1ccc(C2=NN(CCC(=O)N3CCC(C(N)=O)CC3)C(=O)CC2)cc1.
What is the InChIKey of 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is GKLQLHRBWOIWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-2-4-15(5-3-14)17-6-7-19(26)24(22-17)13-10-18(25)23-11-8-16(9-12-23)20(21)27/h2-5,16H,6-13H2,1H3,(H2,21,27).
What are the key properties of 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide?
1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 6624436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).