N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C22H24N6O2 — CID 121103793

IUPACN-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(c3ccc(-n4ccnc4C)nn3)C2)c1
InChIInChI=1S/C22H24N6O2/c1-15(29)17-5-3-7-19(13-17)24-22(30)18-6-4-11-27(14-18)20-8-9-21(26-25-20)28-12-10-23-16(28)2/h3,5,7-10,12-13,18H,4,6,11,14H2,1-2H3,(H,24,30)
InChIKeyMFJDMUYALQDQJV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.03
Rot. Bonds5

About N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121103793) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID121103793
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(c3ccc(-n4ccnc4C)nn3)C2)c1
InChIInChI=1S/C22H24N6O2/c1-15(29)17-5-3-7-19(13-17)24-22(30)18-6-4-11-27(14-18)20-8-9-21(26-25-20)28-12-10-23-16(28)2/h3,5,7-10,12-13,18H,4,6,11,14H2,1-2H3,(H,24,30)
InChIKeyMFJDMUYALQDQJV-UHFFFAOYSA-N
XLogP3.03
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103828
N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514404
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121103832
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-quinolin-8-ylpiperidine-3-carboxamide
CID 121103941
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103838
methyl 2-[[1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121103795
N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104023
N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118516
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide
CID 121103913

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121103793) is N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CCCN(c3ccc(-n4ccnc4C)nn3)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is MFJDMUYALQDQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15(29)17-5-3-7-19(13-17)24-22(30)18-6-4-11-27(14-18)20-8-9-21(26-25-20)28-12-10-23-16(28)2/h3,5,7-10,12-13,18H,4,6,11,14H2,1-2H3,(H,24,30).
What are the key properties of N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.03, 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-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121103793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).