N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide

C23H22F3N5O2 — CID 121071096

IUPACN-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCCN(c2ccc(-c3cccnc3)nn2)C1
InChIInChI=1S/C23H22F3N5O2/c1-33-20-8-6-17(23(24,25)26)12-19(20)28-22(32)16-5-3-11-31(14-16)21-9-7-18(29-30-21)15-4-2-10-27-13-15/h2,4,6-10,12-13,16H,3,5,11,14H2,1H3,(H,28,32)
InChIKeyAMBHXVOHQNXXOX-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.42
Rot. Bonds5

About N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide

N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121071096) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121071096
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCCN(c2ccc(-c3cccnc3)nn2)C1
InChIInChI=1S/C23H22F3N5O2/c1-33-20-8-6-17(23(24,25)26)12-19(20)28-22(32)16-5-3-11-31(14-16)21-9-7-18(29-30-21)15-4-2-10-27-13-15/h2,4,6-10,12-13,16H,3,5,11,14H2,1H3,(H,28,32)
InChIKeyAMBHXVOHQNXXOX-UHFFFAOYSA-N
XLogP4.42
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071029
N-(2,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070992
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025140
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121070532
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070569
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 54007816
N-(2-cyano-4-nitrophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071084
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 97414234
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365521
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070721

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121071096) is N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide is COc1ccc(C(F)(F)F)cc1NC(=O)C1CCCN(c2ccc(-c3cccnc3)nn2)C1.
What is the InChIKey of N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is AMBHXVOHQNXXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-33-20-8-6-17(23(24,25)26)12-19(20)28-22(32)16-5-3-11-31(14-16)21-9-7-18(29-30-21)15-4-2-10-27-13-15/h2,4,6-10,12-13,16H,3,5,11,14H2,1H3,(H,28,32).
What are the key properties of N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121071096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).