N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

C23H25N5O — CID 121070841

IUPACN-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCCN(c3ccc(-c4ccncc4)nn3)C2)c1
InChIInChI=1S/C23H25N5O/c1-16-12-17(2)14-20(13-16)25-23(29)19-4-3-11-28(15-19)22-6-5-21(26-27-22)18-7-9-24-10-8-18/h5-10,12-14,19H,3-4,11,15H2,1-2H3,(H,25,29)
InChIKeyDRCBBDGXFYYONX-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.01
Rot. Bonds4

About N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121070841) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121070841
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCCN(c3ccc(-c4ccncc4)nn3)C2)c1
InChIInChI=1S/C23H25N5O/c1-16-12-17(2)14-20(13-16)25-23(29)19-4-3-11-28(15-19)22-6-5-21(26-27-22)18-7-9-24-10-8-18/h5-10,12-14,19H,3-4,11,15H2,1-2H3,(H,25,29)
InChIKeyDRCBBDGXFYYONX-UHFFFAOYSA-N
XLogP4.01
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070850
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070899
(3S)-N-(1,3-benzodioxol-5-yl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055762
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070816
N-(4-bromo-3-methylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071302
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
(3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055955

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121070841) is N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1cc(C)cc(NC(=O)C2CCCN(c3ccc(-c4ccncc4)nn3)C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is DRCBBDGXFYYONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-12-17(2)14-20(13-16)25-23(29)19-4-3-11-28(15-19)22-6-5-21(26-27-22)18-7-9-24-10-8-18/h5-10,12-14,19H,3-4,11,15H2,1-2H3,(H,25,29).
What are the key properties of N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121070841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).