N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H30N4O2 — CID 47043186

IUPACN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1
InChIInChI=1S/C21H30N4O2/c1-15-10-16(2)13-25(12-15)14-18-7-5-4-6-17(18)11-22-21(27)19-8-9-20(26)24(3)23-19/h4-7,15-16H,8-14H2,1-3H3,(H,22,27)
InChIKeyHKHHNAVAPVXWCO-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.39
Rot. Bonds5

About N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 47043186) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID47043186
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1
InChIInChI=1S/C21H30N4O2/c1-15-10-16(2)13-25(12-15)14-18-7-5-4-6-17(18)11-22-21(27)19-8-9-20(26)24(3)23-19/h4-7,15-16H,8-14H2,1-3H3,(H,22,27)
InChIKeyHKHHNAVAPVXWCO-UHFFFAOYSA-N
XLogP2.39
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 47043186) is N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC1CC(C)CN(Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1.
What is the InChIKey of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HKHHNAVAPVXWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-10-16(2)13-25(12-15)14-18-7-5-4-6-17(18)11-22-21(27)19-8-9-20(26)24(3)23-19/h4-7,15-16H,8-14H2,1-3H3,(H,22,27).
What are the key properties of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 47043186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).