5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one

C20H28N4O — CID 72879270

IUPAC5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(CC2CCCCN2C)c(=O)c1
InChIInChI=1S/C20H28N4O/c1-22-12-7-6-10-18(22)16-24-20(25)14-19(15-21-24)23(2)13-11-17-8-4-3-5-9-17/h3-5,8-9,14-15,18H,6-7,10-13,16H2,1-2H3
InChIKeyZDCSTROYIRMGJQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.41
Rot. Bonds6

About 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one

5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one (PubChem CID 72879270) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one
PubChem CID72879270
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(CC2CCCCN2C)c(=O)c1
InChIInChI=1S/C20H28N4O/c1-22-12-7-6-10-18(22)16-24-20(25)14-19(15-21-24)23(2)13-11-17-8-4-3-5-9-17/h3-5,8-9,14-15,18H,6-7,10-13,16H2,1-2H3
InChIKeyZDCSTROYIRMGJQ-UHFFFAOYSA-N
XLogP2.41
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one
CID 28956134
5-[methyl(2-phenylethyl)amino]-2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridazin-3-one
CID 97284120
5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 56909974
5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 56885157
2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide
CID 45173924
N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 56887820
5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one
CID 72868473
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
2-[2-(2-aminocyclopentyl)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394778
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397146
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one (CID 72879270) is 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one is CN(CCc1ccccc1)c1cnn(CC2CCCCN2C)c(=O)c1.
What is the InChIKey of 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is ZDCSTROYIRMGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-22-12-7-6-10-18(22)16-24-20(25)14-19(15-21-24)23(2)13-11-17-8-4-3-5-9-17/h3-5,8-9,14-15,18H,6-7,10-13,16H2,1-2H3.
What are the key properties of 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one?
5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 340.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 72879270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).