N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C24H23F3N4O2 — CID 17419748

IUPACN-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(Cc3ccccc3)C2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O2/c1-16-12-21(32)22(29-31(16)20-9-5-8-18(13-20)24(25,26)27)23(33)28-19-10-11-30(15-19)14-17-6-3-2-4-7-17/h2-9,12-13,19H,10-11,14-15H2,1H3,(H,28,33)
InChIKeyOMAOMKJSILEEJP-UHFFFAOYSA-N
MW456.47 g/mol
LogP3.56
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 17419748) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID17419748
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(Cc3ccccc3)C2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O2/c1-16-12-21(32)22(29-31(16)20-9-5-8-18(13-20)24(25,26)27)23(33)28-19-10-11-30(15-19)14-17-6-3-2-4-7-17/h2-9,12-13,19H,10-11,14-15H2,1H3,(H,28,33)
InChIKeyOMAOMKJSILEEJP-UHFFFAOYSA-N
XLogP3.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 17419748) is N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCN(Cc3ccccc3)C2)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is OMAOMKJSILEEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-16-12-21(32)22(29-31(16)20-9-5-8-18(13-20)24(25,26)27)23(33)28-19-10-11-30(15-19)14-17-6-3-2-4-7-17/h2-9,12-13,19H,10-11,14-15H2,1H3,(H,28,33).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 17419748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).