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

C19H24N4O2 — CID 53203953

IUPACN-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)c1C
InChIInChI=1S/C19H24N4O2/c1-13-6-4-8-17(14(13)2)21-19(25)15-7-5-9-23(12-15)16-10-18(24)22(3)20-11-16/h4,6,8,10-11,15H,5,7,9,12H2,1-3H3,(H,21,25)
InChIKeyFPHIDNKMWUCVAX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.25
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203953) 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-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203953
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)c1C
InChIInChI=1S/C19H24N4O2/c1-13-6-4-8-17(14(13)2)21-19(25)15-7-5-9-23(12-15)16-10-18(24)22(3)20-11-16/h4,6,8,10-11,15H,5,7,9,12H2,1-3H3,(H,21,25)
InChIKeyFPHIDNKMWUCVAX-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

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2,4-Dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
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Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-[(2,3-dimethyl-phenyl)-amide]
CID 650315
N-[2-methyl-3-[(6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]-4-phenylbenzamide
CID 25209050
2-Methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-4-pentylpyridazin-3-one
CID 156010114
2-Methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-4-propan-2-ylpyridazin-3-one
CID 156010137
BRD7/9 inhibitor GSK6776
CID 156013241
4-[(Z)-but-2-enyl]-2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
CID 156013790
4-But-3-enyl-2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
CID 156014368
4-Ethyl-2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
CID 156014580
2-Methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-4-prop-2-enylpyridazin-3-one
CID 156016978
4-[(2R)-but-3-en-2-yl]-2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
CID 156017232

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53203953) is N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is FPHIDNKMWUCVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-6-4-8-17(14(13)2)21-19(25)15-7-5-9-23(12-15)16-10-18(24)22(3)20-11-16/h4,6,8,10-11,15H,5,7,9,12H2,1-3H3,(H,21,25).
What are the key properties of N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-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-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).