cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide

C25H28F3N3O3 — CID 159183887

IUPACcis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCc1nc(N)ccc1CCC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C25H28F3N3O3/c1-14-17(7-9-23(29)30-14)6-8-21(32)15(2)31-24(34)19-12-18(22(33)13-19)10-16-4-3-5-20(11-16)25(26,27)28/h3-5,7,9,11,15,18-19H,6,8,10,12-13H2,1-2H3,(H2,29,30)(H,31,34)/t15-,18-,19-/m0/s1
InChIKeyKNFVFSDLNRCPDC-SNRMKQJTSA-N
MW475.51 g/mol
LogP3.84
Rot. Bonds8

About cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide

cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 159183887) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID159183887
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC Namecis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCc1nc(N)ccc1CCC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C25H28F3N3O3/c1-14-17(7-9-23(29)30-14)6-8-21(32)15(2)31-24(34)19-12-18(22(33)13-19)10-16-4-3-5-20(11-16)25(26,27)28/h3-5,7,9,11,15,18-19H,6,8,10,12-13H2,1-2H3,(H2,29,30)(H,31,34)/t15-,18-,19-/m0/s1
InChIKeyKNFVFSDLNRCPDC-SNRMKQJTSA-N
XLogP3.84
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
3-hydroxy-6-[3-(trifluoromethyl)phenyl]hexane-2,4-dione
CID 66765026
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 171949810
(3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 97252431
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
N-(2-amino-1-cyclopropylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119614384
N-(1-aminopropan-2-yl)-N-methyl-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119582564
N-(4-phenylbutan-2-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 42909030
1-[(4-methylphenyl)methyl]-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 112763936
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 159183887) is cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is Cc1nc(N)ccc1CCC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is KNFVFSDLNRCPDC-SNRMKQJTSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c1-14-17(7-9-23(29)30-14)6-8-21(32)15(2)31-24(34)19-12-18(22(33)13-19)10-16-4-3-5-20(11-16)25(26,27)28/h3-5,7,9,11,15,18-19H,6,8,10,12-13H2,1-2H3,(H2,29,30)(H,31,34)/t15-,18-,19-/m0/s1.
What are the key properties of cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 159183887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).