3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide

C15H23N5O3 — CID 70711027

IUPAC3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
SMILESCC(=O)NCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H23N5O3/c1-11(21)16-5-3-14(22)17-8-12-4-6-20(10-12)13-7-15(23)19(2)18-9-13/h7,9,12H,3-6,8,10H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyCBEQSYWLMRKSTM-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.75
Rot. Bonds6

About 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide

3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 70711027) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID70711027
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
SMILESCC(=O)NCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H23N5O3/c1-11(21)16-5-3-14(22)17-8-12-4-6-20(10-12)13-7-15(23)19(2)18-9-13/h7,9,12H,3-6,8,10H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyCBEQSYWLMRKSTM-UHFFFAOYSA-N
XLogP-0.75
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145
1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-propylpiperidine-3-carboxamide
CID 53203874
1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 53203962
N-butyl-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203986
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-pyrrolidinyl)propanamide
CID 70721532
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
1,6-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 70734562
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-piperidinyl)propanamide
CID 70739487
N-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
1-ethyl-4,6-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 70770052

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide (CID 70711027) is 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide is CC(=O)NCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is CBEQSYWLMRKSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-11(21)16-5-3-14(22)17-8-12-4-6-20(10-12)13-7-15(23)19(2)18-9-13/h7,9,12H,3-6,8,10H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide?
3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 321.38 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 70711027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).