N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C25H36N6O — CID 50771294

IUPACN-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1)c1ccccc1
InChIInChI=1S/C25H36N6O/c1-29(22-9-4-2-5-10-22)16-8-15-26-25(32)21-13-19-31(20-14-21)24-12-11-23(27-28-24)30-17-6-3-7-18-30/h2,4-5,9-12,21H,3,6-8,13-20H2,1H3,(H,26,32)
InChIKeyMFMNMGNQAODFAW-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.33
Rot. Bonds8

About N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771294) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771294
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC NameN-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1)c1ccccc1
InChIInChI=1S/C25H36N6O/c1-29(22-9-4-2-5-10-22)16-8-15-26-25(32)21-13-19-31(20-14-21)24-12-11-23(27-28-24)30-17-6-3-7-18-30/h2,4-5,9-12,21H,3,6-8,13-20H2,1H3,(H,26,32)
InChIKeyMFMNMGNQAODFAW-UHFFFAOYSA-N
XLogP3.33
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-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

N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
N-[3-(N-methylanilino)propyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025081
N-[3-(N-methylanilino)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 83273982
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193917
N-[3-(N-methylanilino)propyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071435
1-(2,6-dichlorophenyl)sulfonyl-N-[3-(N-methylanilino)propyl]piperidine-4-carboxamide
CID 27024550
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177
(3S)-1-ethylsulfonyl-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 94782843
N-[3-(N-methylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005380

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771294) is N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is CN(CCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is MFMNMGNQAODFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-29(22-9-4-2-5-10-22)16-8-15-26-25(32)21-13-19-31(20-14-21)24-12-11-23(27-28-24)30-17-6-3-7-18-30/h2,4-5,9-12,21H,3,6-8,13-20H2,1H3,(H,26,32).
What are the key properties of N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).