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

C18H30N6O2 — CID 70750771

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1)C1CCNCC1
InChIInChI=1S/C18H30N6O2/c1-22(15-3-6-19-7-4-15)13-17(25)20-10-14-5-8-24(12-14)16-9-18(26)23(2)21-11-16/h9,11,14-15,19H,3-8,10,12-13H2,1-2H3,(H,20,25)
InChIKeyDRAPVRYEOQZXCJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP-0.59
Rot. Bonds6

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

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 70750771) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID70750771
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1)C1CCNCC1
InChIInChI=1S/C18H30N6O2/c1-22(15-3-6-19-7-4-15)13-17(25)20-10-14-5-8-24(12-14)16-9-18(26)23(2)21-11-16/h9,11,14-15,19H,3-8,10,12-13H2,1-2H3,(H,20,25)
InChIKeyDRAPVRYEOQZXCJ-UHFFFAOYSA-N
XLogP-0.59
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide (CID 70750771) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide is CN(CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1)C1CCNCC1.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is DRAPVRYEOQZXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-22(15-3-6-19-7-4-15)13-17(25)20-10-14-5-8-24(12-14)16-9-18(26)23(2)21-11-16/h9,11,14-15,19H,3-8,10,12-13H2,1-2H3,(H,20,25).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 362.48 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 70750771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).