N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

C19H24N4O2 — CID 71795304

IUPACN-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ccc(=O)n(C)n3)CC2)c1C
InChIInChI=1S/C19H24N4O2/c1-13-5-4-6-16(14(13)2)20-19(25)15-9-11-23(12-10-15)17-7-8-18(24)22(3)21-17/h4-8,15H,9-12H2,1-3H3,(H,20,25)
InChIKeyQFGBDQAXOXMCQO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.25
Rot. Bonds3

About N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 71795304) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
PubChem CID71795304
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ccc(=O)n(C)n3)CC2)c1C
InChIInChI=1S/C19H24N4O2/c1-13-5-4-6-16(14(13)2)20-19(25)15-9-11-23(12-10-15)17-7-8-18(24)22(3)21-17/h4-8,15H,9-12H2,1-3H3,(H,20,25)
InChIKeyQFGBDQAXOXMCQO-UHFFFAOYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 71795332
N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 71795253
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53070632
N-(2,3-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947220
N-(2,3-dimethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071068
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
(3S)-N-(2,3-dimethylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069440
N-(3-chloro-2-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134022752
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 53070705
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
N-(2,3-dimethylphenyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935092

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (CID 71795304) is N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(c3ccc(=O)n(C)n3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is QFGBDQAXOXMCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-5-4-6-16(14(13)2)20-19(25)15-9-11-23(12-10-15)17-7-8-18(24)22(3)21-17/h4-8,15H,9-12H2,1-3H3,(H,20,25).
What are the key properties of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71795304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).