N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide

C20H23N5O — CID 122660232

IUPACN-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(N3CCC(CC#N)CC3)nn2)c1
InChIInChI=1S/C20H23N5O/c1-15-3-2-4-17(13-15)14-20(26)22-18-5-6-19(24-23-18)25-11-8-16(7-10-21)9-12-25/h2-6,13,16H,7-9,11-12,14H2,1H3,(H,22,23,26)
InChIKeyGIVIYCHPAFYANV-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.10
Rot. Bonds5

About N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide

N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide (PubChem CID 122660232) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
PubChem CID122660232
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(N3CCC(CC#N)CC3)nn2)c1
InChIInChI=1S/C20H23N5O/c1-15-3-2-4-17(13-15)14-20(26)22-18-5-6-19(24-23-18)25-11-8-16(7-10-21)9-12-25/h2-6,13,16H,7-9,11-12,14H2,1H3,(H,22,23,26)
InChIKeyGIVIYCHPAFYANV-UHFFFAOYSA-N
XLogP3.10
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide 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

2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122660230
2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039248
2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040272
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide
CID 113038996
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
CID 113043638
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544157
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide
CID 113043643
tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044889

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide (CID 122660232) is N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(N3CCC(CC#N)CC3)nn2)c1.
What is the InChIKey of N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is GIVIYCHPAFYANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-3-2-4-17(13-15)14-20(26)22-18-5-6-19(24-23-18)25-11-8-16(7-10-21)9-12-25/h2-6,13,16H,7-9,11-12,14H2,1H3,(H,22,23,26).
What are the key properties of N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 122660232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).