N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide

C22H24F3N3O2 — CID 156688992

IUPACN-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cncc(OCC(F)(F)F)c2)[C@@H]1c1ccc(C2CC2)cc1
InChIInChI=1S/C22H24F3N3O2/c1-14(29)27-20-8-9-28(18-10-19(12-26-11-18)30-13-22(23,24)25)21(20)17-6-4-16(5-7-17)15-2-3-15/h4-7,10-12,15,20-21H,2-3,8-9,13H2,1H3,(H,27,29)/t20-,21-/m1/s1
InChIKeyPCYHQMABQVXJPC-NHCUHLMSSA-N
MW419.45 g/mol
LogP4.36
Rot. Bonds6

About N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide

N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 156688992) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID156688992
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC NameN-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cncc(OCC(F)(F)F)c2)[C@@H]1c1ccc(C2CC2)cc1
InChIInChI=1S/C22H24F3N3O2/c1-14(29)27-20-8-9-28(18-10-19(12-26-11-18)30-13-22(23,24)25)21(20)17-6-4-16(5-7-17)15-2-3-15/h4-7,10-12,15,20-21H,2-3,8-9,13H2,1H3,(H,27,29)/t20-,21-/m1/s1
InChIKeyPCYHQMABQVXJPC-NHCUHLMSSA-N
XLogP4.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-1-yl)-5-(2,2,2-trifluoroethoxy)pyridine
CID 171552910
N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 165019445
2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302628
3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine
CID 162401320
1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene
CID 176658555
2-(4-cyclopropylphenyl)-N-[(3S)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146303363
2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 153395147
2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 146302777
1-methylsulfonyl-4-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine;4-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine
CID 157220930
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(2-methylcyclobutyl)urea
CID 154837038
5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
CID 158536635

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 156688992) is N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cncc(OCC(F)(F)F)c2)[C@@H]1c1ccc(C2CC2)cc1.
What is the InChIKey of N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is PCYHQMABQVXJPC-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-14(29)27-20-8-9-28(18-10-19(12-26-11-18)30-13-22(23,24)25)21(20)17-6-4-16(5-7-17)15-2-3-15/h4-7,10-12,15,20-21H,2-3,8-9,13H2,1H3,(H,27,29)/t20-,21-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 419.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(4-cyclopropylphenyl)-1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 156688992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).