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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Related Compounds

2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide
CID 164914329
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 171417993
N-(5,5-difluoropent-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914142
methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate
CID 171417986
methyl 3-[4-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-3-oxopropanoate
CID 164914200
2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 164914340
2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 164914138
2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 162432216
3-methoxy-4-(2-methylpropoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812831
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 121052528
1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 87027958
N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368141

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).