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

C20H22F3N3O2 — CID 165019445

IUPACN-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1cncc(N2CC[C@@H](NC(=O)Cc3ccc(OCC(F)(F)F)cc3)C2)c1
InChIInChI=1S/C20H22F3N3O2/c1-14-8-17(11-24-10-14)26-7-6-16(12-26)25-19(27)9-15-2-4-18(5-3-15)28-13-20(21,22)23/h2-5,8,10-11,16H,6-7,9,12-13H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyKYAAVRCOWBICKM-MRXNPFEDSA-N
MW393.41 g/mol
LogP3.27
Rot. Bonds6

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

N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 165019445) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID165019445
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1cncc(N2CC[C@@H](NC(=O)Cc3ccc(OCC(F)(F)F)cc3)C2)c1
InChIInChI=1S/C20H22F3N3O2/c1-14-8-17(11-24-10-14)26-7-6-16(12-26)25-19(27)9-15-2-4-18(5-3-15)28-13-20(21,22)23/h2-5,8,10-11,16H,6-7,9,12-13H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyKYAAVRCOWBICKM-MRXNPFEDSA-N
XLogP3.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302608
N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 146302602
2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302661
2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302548
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
N-methyl-1-(5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 107585704
2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302811
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide
CID 146302614
2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide
CID 165077295
2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302708
(2R)-2-[4-(2-methylpropyl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
CID 146302646

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 165019445) is N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is Cc1cncc(N2CC[C@@H](NC(=O)Cc3ccc(OCC(F)(F)F)cc3)C2)c1.
What is the InChIKey of N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is KYAAVRCOWBICKM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-14-8-17(11-24-10-14)26-7-6-16(12-26)25-19(27)9-15-2-4-18(5-3-15)28-13-20(21,22)23/h2-5,8,10-11,16H,6-7,9,12-13H2,1H3,(H,25,27)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 165019445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).