N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C21H24N6O — CID 90514780

IUPACN-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C21H24N6O/c1-15-5-3-6-16(2)20(15)23-21(28)17-7-4-11-26(13-17)18-8-9-19(25-24-18)27-12-10-22-14-27/h3,5-6,8-10,12,14,17H,4,7,11,13H2,1-2H3,(H,23,28)
InChIKeyVULHWPMAKUMEGV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.13
Rot. Bonds4

About N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 90514780) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID90514780
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C21H24N6O/c1-15-5-3-6-16(2)20(15)23-21(28)17-7-4-11-26(13-17)18-8-9-19(25-24-18)27-12-10-22-14-27/h3,5-6,8-10,12,14,17H,4,7,11,13H2,1-2H3,(H,23,28)
InChIKeyVULHWPMAKUMEGV-UHFFFAOYSA-N
XLogP3.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514810
(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907702
N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
(3S)-N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907697
N-(3-bromophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514823
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 52993023
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90514767
(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 52907741
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514742
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90514804
N-(2,5-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514846
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514811

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 90514780) is N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1cccc(C)c1NC(=O)C1CCCN(c2ccc(-n3ccnc3)nn2)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is VULHWPMAKUMEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-5-3-6-16(2)20(15)23-21(28)17-7-4-11-26(13-17)18-8-9-19(25-24-18)27-12-10-22-14-27/h3,5-6,8-10,12,14,17H,4,7,11,13H2,1-2H3,(H,23,28).
What are the key properties of N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90514780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).