2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide

C26H33F3N2O2 — CID 138506527

IUPAC2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
SMILESCC(C)C[C@@H](C)COc1ccc(-c2ccnc(NC(=O)CC3CCCC3)c2)cc1C(F)(F)F
InChIInChI=1S/C26H33F3N2O2/c1-17(2)12-18(3)16-33-23-9-8-20(14-22(23)26(27,28)29)21-10-11-30-24(15-21)31-25(32)13-19-6-4-5-7-19/h8-11,14-15,17-19H,4-7,12-13,16H2,1-3H3,(H,30,31,32)/t18-/m1/s1
InChIKeyKQDWRCPGQZABKW-GOSISDBHSA-N
MW462.56 g/mol
LogP7.35
Rot. Bonds9

About 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide

2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide (PubChem CID 138506527) has the molecular formula C26H33F3N2O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
PubChem CID138506527
Molecular FormulaC26H33F3N2O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
SMILESCC(C)C[C@@H](C)COc1ccc(-c2ccnc(NC(=O)CC3CCCC3)c2)cc1C(F)(F)F
InChIInChI=1S/C26H33F3N2O2/c1-17(2)12-18(3)16-33-23-9-8-20(14-22(23)26(27,28)29)21-10-11-30-24(15-21)31-25(32)13-19-6-4-5-7-19/h8-11,14-15,17-19H,4-7,12-13,16H2,1-3H3,(H,30,31,32)/t18-/m1/s1
InChIKeyKQDWRCPGQZABKW-GOSISDBHSA-N
XLogP7.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 137472260
N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-2-pyridinyl]thiophene-2-carboxamide
CID 146260399
N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138506530
5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide
CID 138506505
2-(difluoromethyl)-4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyridine
CID 123296876
methyl N-[4-[6-(2,4-dimethylpentoxy)-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 144939981
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]cyclobutanecarboxamide
CID 137459458
2-cyclohexyl-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide
CID 53379793
propan-2-yl N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamate
CID 145286346
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbutanamide
CID 137350684
methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
CID 144939875
2-acetamido-N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 137459402

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide (CID 138506527) is 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide is CC(C)C[C@@H](C)COc1ccc(-c2ccnc(NC(=O)CC3CCCC3)c2)cc1C(F)(F)F.
What is the InChIKey of 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
The InChIKey is KQDWRCPGQZABKW-GOSISDBHSA-N. The full InChI is InChI=1S/C26H33F3N2O2/c1-17(2)12-18(3)16-33-23-9-8-20(14-22(23)26(27,28)29)21-10-11-30-24(15-21)31-25(32)13-19-6-4-5-7-19/h8-11,14-15,17-19H,4-7,12-13,16H2,1-3H3,(H,30,31,32)/t18-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide has a molecular weight of 462.56 g/mol, XLogP of 7.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 138506527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).