N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide

C18H22N4O — CID 7593476

IUPACN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-2-18(23)19-15-8-6-14(7-9-15)16-10-11-17(21-20-16)22-12-4-3-5-13-22/h6-11H,2-5,12-13H2,1H3,(H,19,23)
InChIKeyFRRIXPJDAYLOMV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.48
Rot. Bonds4

About N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide

N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 7593476) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID7593476
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-2-18(23)19-15-8-6-14(7-9-15)16-10-11-17(21-20-16)22-12-4-3-5-13-22/h6-11H,2-5,12-13H2,1H3,(H,19,23)
InChIKeyFRRIXPJDAYLOMV-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Minaprine
CID 4199
Minaprine Hydrochloride
CID 33254
4-(6-Chloro-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 44395965
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118174196
4-Morpholineethanamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, monohydrochloride
CID 6410797
3-{3,5-Dimethyl-1-[6-(piperidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(4-ethylphenyl)propanamide
CID 20946905
N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422380
2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7422381
N-(3-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422384
N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593164
N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593463
4-(4-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
CID 9906556

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide (CID 7593476) is N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1.
What is the InChIKey of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is FRRIXPJDAYLOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-18(23)19-15-8-6-14(7-9-15)16-10-11-17(21-20-16)22-12-4-3-5-13-22/h6-11H,2-5,12-13H2,1H3,(H,19,23).
What are the key properties of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 7593476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).