N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C21H22N6O2 — CID 90514404

IUPACN-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)c1
InChIInChI=1S/C21H22N6O2/c1-15(28)16-5-2-7-18(13-16)23-21(29)17-6-3-11-26(14-17)19-8-9-20(25-24-19)27-12-4-10-22-27/h2,4-5,7-10,12-13,17H,3,6,11,14H2,1H3,(H,23,29)
InChIKeyWPVVHAOXZNOAFX-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.72
Rot. Bonds5

About N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 90514404) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID90514404
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)c1
InChIInChI=1S/C21H22N6O2/c1-15(28)16-5-2-7-18(13-16)23-21(29)17-6-3-11-26(14-17)19-8-9-20(25-24-19)27-12-4-10-22-27/h2,4-5,7-10,12-13,17H,3,6,11,14H2,1H3,(H,23,29)
InChIKeyWPVVHAOXZNOAFX-UHFFFAOYSA-N
XLogP2.72
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103793
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514398
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514429
N-(4-morpholin-4-ylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514499
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907639
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
N-(2-methylsulfanylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514489
N-(3-methyl-2-pyridinyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514416
N-(3-bromophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601068
N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118516

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 90514404) is N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CCCN(c3ccc(-n4cccn4)nn3)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is WPVVHAOXZNOAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-15(28)16-5-2-7-18(13-16)23-21(29)17-6-3-11-26(14-17)19-8-9-20(25-24-19)27-12-4-10-22-27/h2,4-5,7-10,12-13,17H,3,6,11,14H2,1H3,(H,23,29).
What are the key properties of N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90514404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).