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

C14H22N4O3 — CID 70775668

IUPAC2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C14H22N4O3/c1-3-21-10-13(19)15-7-11-4-5-18(9-11)12-6-14(20)17(2)16-8-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,15,19)
InChIKeyALNDKHDSSBRRHX-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.24
Rot. Bonds6

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

2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 70775668) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID70775668
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C14H22N4O3/c1-3-21-10-13(19)15-7-11-4-5-18(9-11)12-6-14(20)17(2)16-8-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,15,19)
InChIKeyALNDKHDSSBRRHX-UHFFFAOYSA-N
XLogP-0.24
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
N-(1-ethylpropyl)-1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-3-pyrrolidinecarboxamide
CID 91920247
N-isobutyl-1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-3-pyrrolidinecarboxamide
CID 91920254
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
2-hydroxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70731807
N~3~-acetyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70711027
2,2-Dimethylpropyl {[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}carbamate
CID 70714926
5-methoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-4-oxo-4H-pyran-2-carboxamide
CID 70718707
2-ethoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}acetamide
CID 70723002
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(4-morpholinyl)propanamide
CID 70728730
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-propoxyacetamide
CID 70744808

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (CID 70775668) is 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is CCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is ALNDKHDSSBRRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-21-10-13(19)15-7-11-4-5-18(9-11)12-6-14(20)17(2)16-8-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,15,19).
What are the key properties of 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 294.36 g/mol, XLogP of -0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 70775668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).