2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide

C23H32N4O2 — CID 72852628

IUPAC2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)N(CCc2ccccc2)CC2CCN(C)CC2)nc1C
InChIInChI=1S/C23H32N4O2/c1-18-15-22(28)27(24-19(18)2)17-23(29)26(14-11-20-7-5-4-6-8-20)16-21-9-12-25(3)13-10-21/h4-8,15,21H,9-14,16-17H2,1-3H3
InChIKeyIIEHNMOSNOUQCY-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.27
Rot. Bonds7

About 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide

2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 72852628) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID72852628
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)N(CCc2ccccc2)CC2CCN(C)CC2)nc1C
InChIInChI=1S/C23H32N4O2/c1-18-15-22(28)27(24-19(18)2)17-23(29)26(14-11-20-7-5-4-6-8-20)16-21-9-12-25(3)13-10-21/h4-8,15,21H,9-14,16-17H2,1-3H3
InChIKeyIIEHNMOSNOUQCY-UHFFFAOYSA-N
XLogP2.27
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide (CID 72852628) is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide is Cc1cc(=O)n(CC(=O)N(CCc2ccccc2)CC2CCN(C)CC2)nc1C.
What is the InChIKey of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is IIEHNMOSNOUQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18-15-22(28)27(24-19(18)2)17-23(29)26(14-11-20-7-5-4-6-8-20)16-21-9-12-25(3)13-10-21/h4-8,15,21H,9-14,16-17H2,1-3H3.
What are the key properties of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide?
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 396.54 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 72852628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).