[1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide

C22H28F3N4O- — CID 154451739

IUPAC[1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide
SMILESN#CC1(NC(=O)C([NH-])CC2CCCCC2)CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H28F3N4O/c23-22(24,25)18-8-4-7-17(11-18)13-29-10-9-21(14-26,15-29)28-20(30)19(27)12-16-5-2-1-3-6-16/h4,7-8,11,16,19,27H,1-3,5-6,9-10,12-13,15H2,(H,28,30)/q-1
InChIKeySGWPVHGHBCVJJV-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.68
Rot. Bonds6

About [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide

[1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide (PubChem CID 154451739) has the molecular formula C22H28F3N4O- and a molecular weight of 421.49 g/mol. Its IUPAC name is [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide.

Molecular Properties

Compound Name[1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide
PubChem CID154451739
Molecular FormulaC22H28F3N4O-
Molecular Weight421.49 g/mol
Exact Mass421.22
IUPAC Name[1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide
SMILESN#CC1(NC(=O)C([NH-])CC2CCCCC2)CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H28F3N4O/c23-22(24,25)18-8-4-7-17(11-18)13-29-10-9-21(14-26,15-29)28-20(30)19(27)12-16-5-2-1-3-6-16/h4,7-8,11,16,19,27H,1-3,5-6,9-10,12-13,15H2,(H,28,30)/q-1
InChIKeySGWPVHGHBCVJJV-UHFFFAOYSA-N
XLogP4.68
TPSA79.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide with MolForge

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Related Compounds

2-amino-N-[3-cyano-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69418520
2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69415760
N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide
CID 141163058
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 103728549
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
2-cyclohexyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone
CID 42194609
2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride
CID 120798427
N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide?
The IUPAC name of [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide (CID 154451739) is [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide.
What is the SMILES notation for [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide?
The canonical SMILES for [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide is N#CC1(NC(=O)C([NH-])CC2CCCCC2)CCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide?
The InChIKey is SGWPVHGHBCVJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N4O/c23-22(24,25)18-8-4-7-17(11-18)13-29-10-9-21(14-26,15-29)28-20(30)19(27)12-16-5-2-1-3-6-16/h4,7-8,11,16,19,27H,1-3,5-6,9-10,12-13,15H2,(H,28,30)/q-1.
What are the key properties of [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide?
[1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide has a molecular weight of 421.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide is sourced from PubChem (CID 154451739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).