N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C21H28N4O — CID 53025183

IUPACN-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ccc(-c3cccc(C)c3)nn2)CC1
InChIInChI=1S/C21H28N4O/c1-4-16(3)22-21(26)17-10-12-25(13-11-17)20-9-8-19(23-24-20)18-7-5-6-15(2)14-18/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,22,26)
InChIKeyPARVYMXPSTYFPQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.58
Rot. Bonds5

About N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53025183) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53025183
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ccc(-c3cccc(C)c3)nn2)CC1
InChIInChI=1S/C21H28N4O/c1-4-16(3)22-21(26)17-10-12-25(13-11-17)20-9-8-19(23-24-20)18-7-5-6-15(2)14-18/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,22,26)
InChIKeyPARVYMXPSTYFPQ-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 93056018
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243
N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025223
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
CID 116972855
1-[2-(3-methylphenyl)pyrimidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 93068187
N-butan-2-yl-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53006937
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 53025183) is N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2ccc(-c3cccc(C)c3)nn2)CC1.
What is the InChIKey of N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is PARVYMXPSTYFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-16(3)22-21(26)17-10-12-25(13-11-17)20-9-8-19(23-24-20)18-7-5-6-15(2)14-18/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,22,26).
What are the key properties of N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53025183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).