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

C24H25N5O2 — CID 30866093

IUPAC(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1
InChIInChI=1S/C24H25N5O2/c1-17(30)25-20-10-5-11-21(15-20)26-24(31)19-9-6-14-29(16-19)23-13-12-22(27-28-23)18-7-3-2-4-8-18/h2-5,7-8,10-13,15,19H,6,9,14,16H2,1H3,(H,25,30)(H,26,31)/t19-/m0/s1
InChIKeyFGCBMSJPJYETSY-IBGZPJMESA-N
MW415.50 g/mol
LogP3.96
Rot. Bonds5

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

(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 30866093) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID30866093
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1
InChIInChI=1S/C24H25N5O2/c1-17(30)25-20-10-5-11-21(15-20)26-24(31)19-9-6-14-29(16-19)23-13-12-22(27-28-23)18-7-3-2-4-8-18/h2-5,7-8,10-13,15,19H,6,9,14,16H2,1H3,(H,25,30)(H,26,31)/t19-/m0/s1
InChIKeyFGCBMSJPJYETSY-IBGZPJMESA-N
XLogP3.96
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
(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
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
(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-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071260

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (CID 30866093) is (3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1.
What is the InChIKey of (3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is FGCBMSJPJYETSY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17(30)25-20-10-5-11-21(15-20)26-24(31)19-9-6-14-29(16-19)23-13-12-22(27-28-23)18-7-3-2-4-8-18/h2-5,7-8,10-13,15,19H,6,9,14,16H2,1H3,(H,25,30)(H,26,31)/t19-/m0/s1.
What are the key properties of (3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 30866093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).