2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide

C18H24N6O2 — CID 170078956

IUPAC2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCCN/C(=C/c1c(C)nn(CC(=O)Nc2ncccn2)c(=O)c1C)CC
InChIInChI=1S/C18H24N6O2/c1-5-14(19-6-2)10-15-12(3)17(26)24(23-13(15)4)11-16(25)22-18-20-8-7-9-21-18/h7-10,19H,5-6,11H2,1-4H3,(H,20,21,22,25)/b14-10+
InChIKeyAKGOZCCAUGZKJD-GXDHUFHOSA-N
MW356.43 g/mol
LogP1.65
Rot. Bonds7

About 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide

2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide (PubChem CID 170078956) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide
PubChem CID170078956
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCCN/C(=C/c1c(C)nn(CC(=O)Nc2ncccn2)c(=O)c1C)CC
InChIInChI=1S/C18H24N6O2/c1-5-14(19-6-2)10-15-12(3)17(26)24(23-13(15)4)11-16(25)22-18-20-8-7-9-21-18/h7-10,19H,5-6,11H2,1-4H3,(H,20,21,22,25)/b14-10+
InChIKeyAKGOZCCAUGZKJD-GXDHUFHOSA-N
XLogP1.65
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide with MolForge

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Related Compounds

2-(2-ethyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-pyrimidin-2-ylacetamide
CID 168979973
2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide
CID 168980033
2-[4-(1-iodoethyl)-7-methyl-1-oxophthalazin-2-yl]-N-pyrimidin-2-ylacetamide
CID 170369273
2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide
CID 170651422
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 37185608
2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide
CID 176648399
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
N-pyrimidin-2-ylnonanamide
CID 4089811

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide (CID 170078956) is 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide is CCN/C(=C/c1c(C)nn(CC(=O)Nc2ncccn2)c(=O)c1C)CC.
What is the InChIKey of 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
The InChIKey is AKGOZCCAUGZKJD-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-5-14(19-6-2)10-15-12(3)17(26)24(23-13(15)4)11-16(25)22-18-20-8-7-9-21-18/h7-10,19H,5-6,11H2,1-4H3,(H,20,21,22,25)/b14-10+.
What are the key properties of 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide has a molecular weight of 356.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(ethylamino)but-1-enyl]-3,5-dimethyl-6-oxopyridazin-1-yl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 170078956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).