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

C18H29N5O2 — CID 70731402

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)CC1
InChIInChI=1S/C18H29N5O2/c1-14-3-6-22(7-4-14)13-17(24)19-10-15-5-8-23(12-15)16-9-18(25)21(2)20-11-16/h9,11,14-15H,3-8,10,12-13H2,1-2H3,(H,19,24)
InChIKeyXPUSQHCFGSFVDS-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.45
Rot. Bonds5

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

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 70731402) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID70731402
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)CC1
InChIInChI=1S/C18H29N5O2/c1-14-3-6-22(7-4-14)13-17(24)19-10-15-5-8-23(12-15)16-9-18(25)21(2)20-11-16/h9,11,14-15H,3-8,10,12-13H2,1-2H3,(H,19,24)
InChIKeyXPUSQHCFGSFVDS-UHFFFAOYSA-N
XLogP0.45
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 70731402) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)CC1.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is XPUSQHCFGSFVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-3-6-22(7-4-14)13-17(24)19-10-15-5-8-23(12-15)16-9-18(25)21(2)20-11-16/h9,11,14-15H,3-8,10,12-13H2,1-2H3,(H,19,24).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 70731402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).