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

C15H22N4O3 — CID 56881772

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
SMILESCCCC(=O)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H22N4O3/c1-3-4-13(20)15(22)16-8-11-5-6-19(10-11)12-7-14(21)18(2)17-9-12/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,22)
InChIKeyWMLLCYXBBWKLRF-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.09
Rot. Bonds6

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

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide (PubChem CID 56881772) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
PubChem CID56881772
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
SMILESCCCC(=O)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H22N4O3/c1-3-4-13(20)15(22)16-8-11-5-6-19(10-11)12-7-14(21)18(2)17-9-12/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,22)
InChIKeyWMLLCYXBBWKLRF-UHFFFAOYSA-N
XLogP0.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-propylbenzamide
CID 70745919
3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 70755397
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 45221264
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 45242027
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 70730789
2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70722394
3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 45196861
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70739773
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70770761
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 45173814

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide (CID 56881772) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide is CCCC(=O)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide?
The InChIKey is WMLLCYXBBWKLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-4-13(20)15(22)16-8-11-5-6-19(10-11)12-7-14(21)18(2)17-9-12/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,22).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide has a molecular weight of 306.37 g/mol, XLogP of 0.09, 6 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-oxopentanamide is sourced from PubChem (CID 56881772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).