N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide

C18H27F3N4O2 — CID 171492902

IUPACN-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide
SMILESCCCCN(CCC)C(=O)CNCC1CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C18H27F3N4O2/c1-3-5-9-25(8-4-2)14(26)11-22-10-12-6-7-13-15(18(19,20)21)17(27)24-23-16(12)13/h12,22H,3-11H2,1-2H3,(H,24,27)
InChIKeyVEUNSSDTEORIMG-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.45
Rot. Bonds9

About N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide

N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide (PubChem CID 171492902) has the molecular formula C18H27F3N4O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide.

Molecular Properties

Compound NameN-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide
PubChem CID171492902
Molecular FormulaC18H27F3N4O2
Molecular Weight388.43 g/mol
Exact Mass388.21
IUPAC NameN-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide
SMILESCCCCN(CCC)C(=O)CNCC1CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C18H27F3N4O2/c1-3-5-9-25(8-4-2)14(26)11-22-10-12-6-7-13-15(18(19,20)21)17(27)24-23-16(12)13/h12,22H,3-11H2,1-2H3,(H,24,27)
InChIKeyVEUNSSDTEORIMG-UHFFFAOYSA-N
XLogP2.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide
CID 171492779
(2R)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
CID 171493060
N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide
CID 171493119
7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]amino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one
CID 171493190
butane;N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]butanamide
CID 171493205
(2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
CID 171493298
(7R)-7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]amino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one
CID 176022208
N-butyl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide
CID 171492727
3-[[6-methyl-3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide
CID 171492787
N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N'-pentyl-N'-propylpropanediamide
CID 171492819
N-butyl-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide
CID 171492878
2-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N-pentyl-N-propylacetamide
CID 171492890

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide?
The IUPAC name of N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide (CID 171492902) is N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide.
What is the SMILES notation for N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide?
The canonical SMILES for N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide is CCCCN(CCC)C(=O)CNCC1CCc2c1n[nH]c(=O)c2C(F)(F)F.
What is the InChIKey of N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide?
The InChIKey is VEUNSSDTEORIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O2/c1-3-5-9-25(8-4-2)14(26)11-22-10-12-6-7-13-15(18(19,20)21)17(27)24-23-16(12)13/h12,22H,3-11H2,1-2H3,(H,24,27).
What are the key properties of N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide?
N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide has a molecular weight of 388.43 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methylamino]-N-propylacetamide is sourced from PubChem (CID 171492902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).