N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide

C19H24N4O2 — CID 53200795

IUPACN-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide
SMILESCCn1ncc(NC(=O)c2ccc(C)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C19H24N4O2/c1-3-23-19(25)17(22-11-5-4-6-12-22)16(13-20-23)21-18(24)15-9-7-14(2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,24)
InChIKeyLUSWOMRPZSBYFU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.81
Rot. Bonds4

About N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide

N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide (PubChem CID 53200795) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide
PubChem CID53200795
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide
SMILESCCn1ncc(NC(=O)c2ccc(C)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C19H24N4O2/c1-3-23-19(25)17(22-11-5-4-6-12-22)16(13-20-23)21-18(24)15-9-7-14(2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,24)
InChIKeyLUSWOMRPZSBYFU-UHFFFAOYSA-N
XLogP2.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-4-methylbenzamide
CID 53200813
N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-3,4,5-trimethoxybenzamide
CID 53200828
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide
CID 46374719
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-(1-ethyl-5-methylpyrazol-4-yl)-4-nitrobenzamide
CID 4865654
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide?
The IUPAC name of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide (CID 53200795) is N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide?
The canonical SMILES for N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide is CCn1ncc(NC(=O)c2ccc(C)cc2)c(N2CCCCC2)c1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide?
The InChIKey is LUSWOMRPZSBYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-23-19(25)17(22-11-5-4-6-12-22)16(13-20-23)21-18(24)15-9-7-14(2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide?
N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide has a molecular weight of 340.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-methylbenzamide is sourced from PubChem (CID 53200795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).