1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C25H24F3N5O3 — CID 55810048

IUPAC1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3nn(-c4ccccc4C(F)(F)F)c(C)cc3=O)CC2)nc1
InChIInChI=1S/C25H24F3N5O3/c1-15-7-8-21(29-14-15)30-23(35)17-9-11-32(12-10-17)24(36)22-20(34)13-16(2)33(31-22)19-6-4-3-5-18(19)25(26,27)28/h3-8,13-14,17H,9-12H2,1-2H3,(H,29,30,35)
InChIKeyCPGVPHYXIRGHDK-UHFFFAOYSA-N
MW499.49 g/mol
LogP3.75
Rot. Bonds4

About 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55810048) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55810048
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC Name1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3nn(-c4ccccc4C(F)(F)F)c(C)cc3=O)CC2)nc1
InChIInChI=1S/C25H24F3N5O3/c1-15-7-8-21(29-14-15)30-23(35)17-9-11-32(12-10-17)24(36)22-20(34)13-16(2)33(31-22)19-6-4-3-5-18(19)25(26,27)28/h3-8,13-14,17H,9-12H2,1-2H3,(H,29,30,35)
InChIKeyCPGVPHYXIRGHDK-UHFFFAOYSA-N
XLogP3.75
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55810048) is 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3nn(-c4ccccc4C(F)(F)F)c(C)cc3=O)CC2)nc1.
What is the InChIKey of 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is CPGVPHYXIRGHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-15-7-8-21(29-14-15)30-23(35)17-9-11-32(12-10-17)24(36)22-20(34)13-16(2)33(31-22)19-6-4-3-5-18(19)25(26,27)28/h3-8,13-14,17H,9-12H2,1-2H3,(H,29,30,35).
What are the key properties of 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55810048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).