2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide

C23H33N5O2 — CID 168979878

IUPAC2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCCC/C(=C/c1c(C(C)C)nn(CC(=O)Nc2ncccn2)c(=O)c1C)C(C)CC
InChIInChI=1S/C23H33N5O2/c1-7-10-18(16(5)8-2)13-19-17(6)22(30)28(27-21(19)15(3)4)14-20(29)26-23-24-11-9-12-25-23/h9,11-13,15-16H,7-8,10,14H2,1-6H3,(H,24,25,26,29)/b18-13-
InChIKeyUIMXJFQTAPRSSK-AQTBWJFISA-N
MW411.55 g/mol
LogP4.33
Rot. Bonds9

About 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide

2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide (PubChem CID 168979878) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide
PubChem CID168979878
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCCC/C(=C/c1c(C(C)C)nn(CC(=O)Nc2ncccn2)c(=O)c1C)C(C)CC
InChIInChI=1S/C23H33N5O2/c1-7-10-18(16(5)8-2)13-19-17(6)22(30)28(27-21(19)15(3)4)14-20(29)26-23-24-11-9-12-25-23/h9,11-13,15-16H,7-8,10,14H2,1-6H3,(H,24,25,26,29)/b18-13-
InChIKeyUIMXJFQTAPRSSK-AQTBWJFISA-N
XLogP4.33
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide (CID 168979878) is 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide is CCC/C(=C/c1c(C(C)C)nn(CC(=O)Nc2ncccn2)c(=O)c1C)C(C)CC.
What is the InChIKey of 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
The InChIKey is UIMXJFQTAPRSSK-AQTBWJFISA-N. The full InChI is InChI=1S/C23H33N5O2/c1-7-10-18(16(5)8-2)13-19-17(6)22(30)28(27-21(19)15(3)4)14-20(29)26-23-24-11-9-12-25-23/h9,11-13,15-16H,7-8,10,14H2,1-6H3,(H,24,25,26,29)/b18-13-.
What are the key properties of 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide has a molecular weight of 411.55 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[(Z)-3-methyl-2-propylpent-1-enyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 168979878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).