1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide

C21H24N6O2 — CID 90514804

IUPAC1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C21H24N6O2/c1-15-5-6-18(29-2)17(12-15)23-21(28)16-4-3-10-26(13-16)19-7-8-20(25-24-19)27-11-9-22-14-27/h5-9,11-12,14,16H,3-4,10,13H2,1-2H3,(H,23,28)
InChIKeyCVFOGNVRTDPGNB-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.83
Rot. Bonds5

About 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide (PubChem CID 90514804) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
PubChem CID90514804
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C21H24N6O2/c1-15-5-6-18(29-2)17(12-15)23-21(28)16-4-3-10-26(13-16)19-7-8-20(25-24-19)27-11-9-22-14-27/h5-9,11-12,14,16H,3-4,10,13H2,1-2H3,(H,23,28)
InChIKeyCVFOGNVRTDPGNB-UHFFFAOYSA-N
XLogP2.83
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-nitrophenyl)piperidine-3-carboxamide
CID 90514827
N-(3-chloro-2-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514810
N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514780
N-(2,5-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514846
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 52993023
N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118430
(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
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90514767
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514742
N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118520
(3S)-N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907697

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide (CID 90514804) is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(-n3ccnc3)nn2)C1.
What is the InChIKey of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide?
The InChIKey is CVFOGNVRTDPGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-5-6-18(29-2)17(12-15)23-21(28)16-4-3-10-26(13-16)19-7-8-20(25-24-19)27-11-9-22-14-27/h5-9,11-12,14,16H,3-4,10,13H2,1-2H3,(H,23,28).
What are the key properties of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide?
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 90514804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).