2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide

C17H20N4O3 — CID 122278642

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(C3CC3)ccc2=O)cn1
InChIInChI=1S/C17H20N4O3/c1-2-24-16-7-3-12(10-19-16)9-18-15(22)11-21-17(23)8-6-14(20-21)13-4-5-13/h3,6-8,10,13H,2,4-5,9,11H2,1H3,(H,18,22)
InChIKeyCHHFJTFPXUCLJH-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.23
Rot. Bonds7

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

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide (PubChem CID 122278642) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide
PubChem CID122278642
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(C3CC3)ccc2=O)cn1
InChIInChI=1S/C17H20N4O3/c1-2-24-16-7-3-12(10-19-16)9-18-15(22)11-21-17(23)8-6-14(20-21)13-4-5-13/h3,6-8,10,13H,2,4-5,9,11H2,1H3,(H,18,22)
InChIKeyCHHFJTFPXUCLJH-UHFFFAOYSA-N
XLogP1.23
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
CID 122278444
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 122162421
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 122278617
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 122278467
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122278178
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 122279120
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 19520373

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide (CID 122278642) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide is CCOc1ccc(CNC(=O)Cn2nc(C3CC3)ccc2=O)cn1.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is CHHFJTFPXUCLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-24-16-7-3-12(10-19-16)9-18-15(22)11-21-17(23)8-6-14(20-21)13-4-5-13/h3,6-8,10,13H,2,4-5,9,11H2,1H3,(H,18,22).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 122278642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).