1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide

C18H20N4O4 — CID 38713115

IUPAC1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1=O
InChIInChI=1S/C18H20N4O4/c1-26-11-10-22-17(24)8-7-15(20-22)18(25)19-13-4-2-5-14(12-13)21-9-3-6-16(21)23/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H,19,25)
InChIKeyHVTZBVFGNAIRMP-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.27
Rot. Bonds6

About 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 38713115) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
PubChem CID38713115
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1=O
InChIInChI=1S/C18H20N4O4/c1-26-11-10-22-17(24)8-7-15(20-22)18(25)19-13-4-2-5-14(12-13)21-9-3-6-16(21)23/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H,19,25)
InChIKeyHVTZBVFGNAIRMP-UHFFFAOYSA-N
XLogP1.27
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
CID 46410564
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-3-carboxamide
CID 43071783
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62045003
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide
CID 46410374
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide (CID 38713115) is 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is HVTZBVFGNAIRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-26-11-10-22-17(24)8-7-15(20-22)18(25)19-13-4-2-5-14(12-13)21-9-3-6-16(21)23/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H,19,25).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 38713115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).