N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide

C16H25N5O3 — CID 70715217

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCn1ncc(N2CCC(CNC(=O)CN3CCOCC3)C2)cc1=O
InChIInChI=1S/C16H25N5O3/c1-19-16(23)8-14(10-18-19)21-3-2-13(11-21)9-17-15(22)12-20-4-6-24-7-5-20/h8,10,13H,2-7,9,11-12H2,1H3,(H,17,22)
InChIKeyXGRRWTCATDIADY-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.94
Rot. Bonds5

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

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 70715217) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
PubChem CID70715217
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCn1ncc(N2CCC(CNC(=O)CN3CCOCC3)C2)cc1=O
InChIInChI=1S/C16H25N5O3/c1-19-16(23)8-14(10-18-19)21-3-2-13(11-21)9-17-15(22)12-20-4-6-24-7-5-20/h8,10,13H,2-7,9,11-12H2,1H3,(H,17,22)
InChIKeyXGRRWTCATDIADY-UHFFFAOYSA-N
XLogP-0.94
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide 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-morpholin-4-ylacetamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide (CID 70715217) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide is Cn1ncc(N2CCC(CNC(=O)CN3CCOCC3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is XGRRWTCATDIADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-19-16(23)8-14(10-18-19)21-3-2-13(11-21)9-17-15(22)12-20-4-6-24-7-5-20/h8,10,13H,2-7,9,11-12H2,1H3,(H,17,22).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 335.41 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 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-morpholin-4-ylacetamide is sourced from PubChem (CID 70715217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).