N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C19H25FN4O3 — CID 164914239

IUPACN-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCc1nccc(NC(=O)Cn2nc(C(C)C)c(OCC(C)C)cc2=O)c1F
InChIInChI=1S/C19H25FN4O3/c1-11(2)10-27-15-8-17(26)24(23-19(15)12(3)4)9-16(25)22-14-6-7-21-13(5)18(14)20/h6-8,11-12H,9-10H2,1-5H3,(H,21,22,25)
InChIKeyBSKNNBPZJVCDQB-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.88
Rot. Bonds7

About N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 164914239) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID164914239
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC NameN-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCc1nccc(NC(=O)Cn2nc(C(C)C)c(OCC(C)C)cc2=O)c1F
InChIInChI=1S/C19H25FN4O3/c1-11(2)10-27-15-8-17(26)24(23-19(15)12(3)4)9-16(25)22-14-6-7-21-13(5)18(14)20/h6-8,11-12H,9-10H2,1-5H3,(H,21,22,25)
InChIKeyBSKNNBPZJVCDQB-UHFFFAOYSA-N
XLogP2.88
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 164914239) is N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is Cc1nccc(NC(=O)Cn2nc(C(C)C)c(OCC(C)C)cc2=O)c1F.
What is the InChIKey of N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is BSKNNBPZJVCDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-11(2)10-27-15-8-17(26)24(23-19(15)12(3)4)9-16(25)22-14-6-7-21-13(5)18(14)20/h6-8,11-12H,9-10H2,1-5H3,(H,21,22,25).
What are the key properties of N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 376.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 164914239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).