N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide

C22H26F3N5O2 — CID 67172311

IUPACN-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(NC(=O)c3ccccc3C(F)(F)F)C2)nn1
InChIInChI=1S/C22H26F3N5O2/c1-14(2)9-11-26-21(32)18-7-8-19(29-28-18)30-12-10-15(13-30)27-20(31)16-5-3-4-6-17(16)22(23,24)25/h3-8,14-15H,9-13H2,1-2H3,(H,26,32)(H,27,31)
InChIKeyXFUUHBQHKDZEQV-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.28
Rot. Bonds7

About N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide

N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide (PubChem CID 67172311) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide
PubChem CID67172311
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC NameN-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(NC(=O)c3ccccc3C(F)(F)F)C2)nn1
InChIInChI=1S/C22H26F3N5O2/c1-14(2)9-11-26-21(32)18-7-8-19(29-28-18)30-12-10-15(13-30)27-20(31)16-5-3-4-6-17(16)22(23,24)25/h3-8,14-15H,9-13H2,1-2H3,(H,26,32)(H,27,31)
InChIKeyXFUUHBQHKDZEQV-UHFFFAOYSA-N
XLogP3.28
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11698083
N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 67012400
N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113282123
N-(3-methylbutyl)-6-[4-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 86597212
6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731528
N-(2-cyclopropylethyl)-6-[4-[1-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyridazine-3-carboxamide;tetrakis(propan-2-olate);titanium(4+);hydrochloride
CID 159860161
6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172316
N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 69398781
6-chloropyridazine-3-carboxylic acid;6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 159973210
N-hydroxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 141143829
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide (CID 67172311) is N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCC(NC(=O)c3ccccc3C(F)(F)F)C2)nn1.
What is the InChIKey of N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is XFUUHBQHKDZEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-14(2)9-11-26-21(32)18-7-8-19(29-28-18)30-12-10-15(13-30)27-20(31)16-5-3-4-6-17(16)22(23,24)25/h3-8,14-15H,9-13H2,1-2H3,(H,26,32)(H,27,31).
What are the key properties of N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide?
N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 67172311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).