2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide

C18H23N5O2 — CID 148562605

IUPAC2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(N(C)C3CCC3)nc2)ccc1=O
InChIInChI=1S/C18H23N5O2/c1-3-19-17(24)12-23-18(25)10-8-15(21-23)13-7-9-16(20-11-13)22(2)14-5-4-6-14/h7-11,14H,3-6,12H2,1-2H3,(H,19,24)
InChIKeyMVHDOEHQMWBZDT-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.43
Rot. Bonds6

About 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide

2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide (PubChem CID 148562605) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
PubChem CID148562605
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(N(C)C3CCC3)nc2)ccc1=O
InChIInChI=1S/C18H23N5O2/c1-3-19-17(24)12-23-18(25)10-8-15(21-23)13-7-9-16(20-11-13)22(2)14-5-4-6-14/h7-11,14H,3-6,12H2,1-2H3,(H,19,24)
InChIKeyMVHDOEHQMWBZDT-UHFFFAOYSA-N
XLogP1.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
CID 147150407
N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide
CID 168893409
N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]-6-oxopyridazin-1-yl]acetamide
CID 168893465
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121051022
2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 52899767
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224420
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
CID 122278444
ethyl 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7662975
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide (CID 148562605) is 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1nc(-c2ccc(N(C)C3CCC3)nc2)ccc1=O.
What is the InChIKey of 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?
The InChIKey is MVHDOEHQMWBZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-19-17(24)12-23-18(25)10-8-15(21-23)13-7-9-16(20-11-13)22(2)14-5-4-6-14/h7-11,14H,3-6,12H2,1-2H3,(H,19,24).
What are the key properties of 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?
2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide has a molecular weight of 341.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 148562605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).