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

C16H24N4O3 — CID 56905221

IUPAC4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
SMILESCC(C)CC(=O)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H24N4O3/c1-11(2)6-14(21)16(23)17-8-12-4-5-20(10-12)13-7-15(22)19(3)18-9-13/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,17,23)
InChIKeyWTYIHBMEQFNEDE-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.34
Rot. Bonds6

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

4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide (PubChem CID 56905221) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide.

Molecular Properties

Compound Name4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
PubChem CID56905221
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
SMILESCC(C)CC(=O)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H24N4O3/c1-11(2)6-14(21)16(23)17-8-12-4-5-20(10-12)13-7-15(22)19(3)18-9-13/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,17,23)
InChIKeyWTYIHBMEQFNEDE-UHFFFAOYSA-N
XLogP0.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide?
The IUPAC name of 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide (CID 56905221) is 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide.
What is the SMILES notation for 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide?
The canonical SMILES for 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide is CC(C)CC(=O)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide?
The InChIKey is WTYIHBMEQFNEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(2)6-14(21)16(23)17-8-12-4-5-20(10-12)13-7-15(22)19(3)18-9-13/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,17,23).
What are the key properties of 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide?
4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide has a molecular weight of 320.39 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide is sourced from PubChem (CID 56905221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).