N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide

C28H34F3N3O2 — CID 90084811

IUPACN-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCCC1c1cc(-c2ccccc2C(F)(F)F)ccn1)C1CCCCC1
InChIInChI=1S/C28H34F3N3O2/c1-18(2)26(35)33-25(19-9-4-3-5-10-19)27(36)34-16-8-13-24(34)23-17-20(14-15-32-23)21-11-6-7-12-22(21)28(29,30)31/h6-7,11-12,14-15,17-19,24-25H,3-5,8-10,13,16H2,1-2H3,(H,33,35)
InChIKeyDTLRRSSTXNBFGY-UHFFFAOYSA-N
MW501.59 g/mol
LogP6.15
Rot. Bonds6

About N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide

N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide (PubChem CID 90084811) has the molecular formula C28H34F3N3O2 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide
PubChem CID90084811
Molecular FormulaC28H34F3N3O2
Molecular Weight501.59 g/mol
Exact Mass501.26
IUPAC NameN-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCCC1c1cc(-c2ccccc2C(F)(F)F)ccn1)C1CCCCC1
InChIInChI=1S/C28H34F3N3O2/c1-18(2)26(35)33-25(19-9-4-3-5-10-19)27(36)34-16-8-13-24(34)23-17-20(14-15-32-23)21-11-6-7-12-22(21)28(29,30)31/h6-7,11-12,14-15,17-19,24-25H,3-5,8-10,13,16H2,1-2H3,(H,33,35)
InChIKeyDTLRRSSTXNBFGY-UHFFFAOYSA-N
XLogP6.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide (CID 90084811) is N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide is CC(C)C(=O)NC(C(=O)N1CCCC1c1cc(-c2ccccc2C(F)(F)F)ccn1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide?
The InChIKey is DTLRRSSTXNBFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N3O2/c1-18(2)26(35)33-25(19-9-4-3-5-10-19)27(36)34-16-8-13-24(34)23-17-20(14-15-32-23)21-11-6-7-12-22(21)28(29,30)31/h6-7,11-12,14-15,17-19,24-25H,3-5,8-10,13,16H2,1-2H3,(H,33,35).
What are the key properties of N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide?
N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide has a molecular weight of 501.59 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-oxo-2-[2-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 90084811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).