N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C25H37F3N4O2 — CID 126539767

IUPACN-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CC3CN(CC(C)C)CC3C2)CCOCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H37F3N4O2/c1-4-23(33)32(22-7-5-6-21(29-22)25(26,27)28)17-24(8-10-34-11-9-24)31-15-19-13-30(12-18(2)3)14-20(19)16-31/h5-7,18-20H,4,8-17H2,1-3H3
InChIKeyBOYSGKKEDJYOOY-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.91
Rot. Bonds7

About N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 126539767) has the molecular formula C25H37F3N4O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID126539767
Molecular FormulaC25H37F3N4O2
Molecular Weight482.59 g/mol
Exact Mass482.29
IUPAC NameN-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CC3CN(CC(C)C)CC3C2)CCOCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H37F3N4O2/c1-4-23(33)32(22-7-5-6-21(29-22)25(26,27)28)17-24(8-10-34-11-9-24)31-15-19-13-30(12-18(2)3)14-20(19)16-31/h5-7,18-20H,4,8-17H2,1-3H3
InChIKeyBOYSGKKEDJYOOY-UHFFFAOYSA-N
XLogP3.91
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide with MolForge

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Related Compounds

N-[[4-[methyl(5-methylhexyl)amino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 160517239
N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 161013731
N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 135141022
N-(6-methyl-2-pyridinyl)-N-[[4-[4-(2-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 157152523
N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 126509121
N-(3-cyano-2-pyridinyl)-N-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 126509162
N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 139471542
N-[[9-[4-(2-methylpropyl)piperazin-1-yl]-6-oxaspiro[4.5]decan-9-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 126508634
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 137371452
N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 103743077
1-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 62333913
4-[4-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]oxan-4-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]butanamide
CID 137371420

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 126539767) is N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)N(CC1(N2CC3CN(CC(C)C)CC3C2)CCOCC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is BOYSGKKEDJYOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37F3N4O2/c1-4-23(33)32(22-7-5-6-21(29-22)25(26,27)28)17-24(8-10-34-11-9-24)31-15-19-13-30(12-18(2)3)14-20(19)16-31/h5-7,18-20H,4,8-17H2,1-3H3.
What are the key properties of N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 482.59 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 126539767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).