(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

C24H24N4O2 — CID 30866083

IUPAC(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1
InChIInChI=1S/C24H24N4O2/c1-17(29)19-9-5-11-21(15-19)25-24(30)20-10-6-14-28(16-20)23-13-12-22(26-27-23)18-7-3-2-4-8-18/h2-5,7-9,11-13,15,20H,6,10,14,16H2,1H3,(H,25,30)/t20-/m0/s1
InChIKeyXLEODHINWSTYMS-FQEVSTJZSA-N
MW400.48 g/mol
LogP4.20
Rot. Bonds5

About (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 30866083) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID30866083
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1
InChIInChI=1S/C24H24N4O2/c1-17(29)19-9-5-11-21(15-19)25-24(30)20-10-6-14-28(16-20)23-13-12-22(26-27-23)18-7-3-2-4-8-18/h2-5,7-9,11-13,15,20H,6,10,14,16H2,1H3,(H,25,30)/t20-/m0/s1
InChIKeyXLEODHINWSTYMS-FQEVSTJZSA-N
XLogP4.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514404
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103793
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071550
N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070841

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (CID 30866083) is (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1.
What is the InChIKey of (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is XLEODHINWSTYMS-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17(29)19-9-5-11-21(15-19)25-24(30)20-10-6-14-28(16-20)23-13-12-22(26-27-23)18-7-3-2-4-8-18/h2-5,7-9,11-13,15,20H,6,10,14,16H2,1H3,(H,25,30)/t20-/m0/s1.
What are the key properties of (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 30866083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).