2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide

C13H22N4O2 — CID 103219172

IUPAC2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCCNc1cnn(CC(=O)NCCC(C)C)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-4-14-11-7-13(19)17(16-8-11)9-12(18)15-6-5-10(2)3/h7-8,10,14H,4-6,9H2,1-3H3,(H,15,18)
InChIKeyHDGKBRJOLVZQKE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.84
Rot. Bonds7

About 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide

2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 103219172) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID103219172
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCCNc1cnn(CC(=O)NCCC(C)C)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-4-14-11-7-13(19)17(16-8-11)9-12(18)15-6-5-10(2)3/h7-8,10,14H,4-6,9H2,1-3H3,(H,15,18)
InChIKeyHDGKBRJOLVZQKE-UHFFFAOYSA-N
XLogP0.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
N-[(1R)-2-methyl-1-(trifluoromethyl)propyl]-2-[6-oxo-4-(1-piperidinyl)-1(6H)-pyridazinyl]acetamide
CID 28811050
2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219530
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide (CID 103219172) is 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide is CCNc1cnn(CC(=O)NCCC(C)C)c(=O)c1.
What is the InChIKey of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is HDGKBRJOLVZQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-14-11-7-13(19)17(16-8-11)9-12(18)15-6-5-10(2)3/h7-8,10,14H,4-6,9H2,1-3H3,(H,15,18).
What are the key properties of 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 103219172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).