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

C19H24N4O2 — CID 53203904

IUPACN-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-13-6-7-17(14(2)9-13)21-19(25)15-5-4-8-23(12-15)16-10-18(24)22(3)20-11-16/h6-7,9-11,15H,4-5,8,12H2,1-3H3,(H,21,25)
InChIKeyAJOHAKNANVMTMO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.25
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203904) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203904
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-13-6-7-17(14(2)9-13)21-19(25)15-5-4-8-23(12-15)16-10-18(24)22(3)20-11-16/h6-7,9-11,15H,4-5,8,12H2,1-3H3,(H,21,25)
InChIKeyAJOHAKNANVMTMO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 53204040
(3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115508
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115576
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
(3S)-N-(2,4-dimethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069895
(3S)-N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115313
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 53203951
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53203964
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95115628

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53203904) is N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is AJOHAKNANVMTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-6-7-17(14(2)9-13)21-19(25)15-5-4-8-23(12-15)16-10-18(24)22(3)20-11-16/h6-7,9-11,15H,4-5,8,12H2,1-3H3,(H,21,25).
What are the key properties of N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
N-(2,4-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-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).