N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C17H28N4O3 — CID 164914301

IUPACN-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESC=C(CCN)NC(=O)Cn1nc(C(C)C)c(OCC(C)C)cc1=O
InChIInChI=1S/C17H28N4O3/c1-11(2)10-24-14-8-16(23)21(20-17(14)12(3)4)9-15(22)19-13(5)6-7-18/h8,11-12H,5-7,9-10,18H2,1-4H3,(H,19,22)
InChIKeyOFPQKJUSFZOBHJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.38
Rot. Bonds9

About N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 164914301) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID164914301
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESC=C(CCN)NC(=O)Cn1nc(C(C)C)c(OCC(C)C)cc1=O
InChIInChI=1S/C17H28N4O3/c1-11(2)10-24-14-8-16(23)21(20-17(14)12(3)4)9-15(22)19-13(5)6-7-18/h8,11-12H,5-7,9-10,18H2,1-4H3,(H,19,22)
InChIKeyOFPQKJUSFZOBHJ-UHFFFAOYSA-N
XLogP1.38
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,5-difluoropent-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914142
N-(5-amino-6,6,6-trifluorohex-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914181
N-(4-fluorobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914320
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[3-[2,2,2-trifluoro-1-(methylamino)ethyl]cyclobuta-1,2-dien-1-yl]acetamide;molecular hydrogen
CID 176539117
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[3-[2,2,2-trifluoro-1-(methylamino)ethyl]cyclobuta-1,2-dien-1-yl]acetamide
CID 176539118
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(4-piperidin-1-ylbut-1-en-2-yl)acetamide
CID 164914108
2-[4-(2-Methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914125
tert-butyl N-[4-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]but-1-en-2-yl]carbamate
CID 164914126
N-(3-cyanobut-3-enyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914141
N-(3-methylbut-3-enyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914160
tert-butyl N-[3-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]but-3-enyl]carbamate
CID 164914191
Methyl 4-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]pent-4-enoate
CID 164914241

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 164914301) is N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is C=C(CCN)NC(=O)Cn1nc(C(C)C)c(OCC(C)C)cc1=O.
What is the InChIKey of N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is OFPQKJUSFZOBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11(2)10-24-14-8-16(23)21(20-17(14)12(3)4)9-15(22)19-13(5)6-7-18/h8,11-12H,5-7,9-10,18H2,1-4H3,(H,19,22).
What are the key properties of N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 164914301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).