N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C28H44N6O3 — CID 18353139

About N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 18353139) has the molecular formula C28H44N6O3 and a molecular weight of 512.70 g/mol. Its IUPAC name is N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
• PubChem CID: 18353139
• Molecular Formula: C28H44N6O3
• Molecular Weight: 512.70 g/mol
• Exact Mass: 512.35
• IUPAC Name: N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
• SMILES: CCCN(CC1CCN(C(=O)N(CC)CC)CC1)C(C)Cc1cccc(NC(=O)C2=NNC(=O)CC2)c1
• InChI: InChI=1S/C28H44N6O3/c1-5-15-34(20-22-13-16-33(17-14-22)28(37)32(6-2)7-3)21(4)18-23-9-8-10-24(19-23)29-27(36)25-11-12-26(35)31-30-25/h8-10,19,21-22H,5-7,11-18,20H2,1-4H3,(H,29,36)(H,31,35)
• InChIKey: RODZUYPQKHNIPL-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 97.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.70
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The IUPAC name of N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 18353139) is N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

What is the SMILES notation for N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The canonical SMILES for N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCCN(CC1CCN(C(=O)N(CC)CC)CC1)C(C)Cc1cccc(NC(=O)C2=NNC(=O)CC2)c1.

What is the InChIKey of N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The InChIKey is RODZUYPQKHNIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N6O3/c1-5-15-34(20-22-13-16-33(17-14-22)28(37)32(6-2)7-3)21(4)18-23-9-8-10-24(19-23)29-27(36)25-11-12-26(35)31-30-25/h8-10,19,21-22H,5-7,11-18,20H2,1-4H3,(H,29,36)(H,31,35).

What are the key properties of N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 512.70 g/mol, XLogP of 3.71, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[[1-(diethylcarbamoyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 18353139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).