N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C21H27N3O2 — CID 90315547

IUPACN-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1
InChIInChI=1S/C21H27N3O2/c1-4-18-6-5-7-21(23-18)24-13-12-20(14-24)26-19-10-8-17(9-11-19)15(2)22-16(3)25/h5-11,15,20H,4,12-14H2,1-3H3,(H,22,25)/t15-,20+/m0/s1
InChIKeyNHOFPTKQFDWKBW-MGPUTAFESA-N
MW353.47 g/mol
LogP3.50
Rot. Bonds6

About N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 90315547) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID90315547
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1
InChIInChI=1S/C21H27N3O2/c1-4-18-6-5-7-21(23-18)24-13-12-20(14-24)26-19-10-8-17(9-11-19)15(2)22-16(3)25/h5-11,15,20H,4,12-14H2,1-3H3,(H,22,25)/t15-,20+/m0/s1
InChIKeyNHOFPTKQFDWKBW-MGPUTAFESA-N
XLogP3.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315370
N-[(1S)-1-[4-[(3R)-1-[6-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668969
N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91669010
N-[(1S)-1-[4-[1-[6-(1-methylsulfonylcyclopropyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668654
N-[(1S)-1-[4-[1-[5-(2-methylpropoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668589
N-[(1S)-1-[4-[(3R)-1-[2-[benzyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91825021
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438
3-hydroxy-N-[(1S)-1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 90315501
N-[(1S)-1-[4-[(3R)-1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91824921
N-[(1S)-1-[4-[1-[5-(2-cyclopropylethoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668612
2,2-dimethyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 90301811
N-[(1S)-1-[4-[(3R)-1-[2-[2-cyanoethyl(propyl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91825104

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 90315547) is N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CCc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is NHOFPTKQFDWKBW-MGPUTAFESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-18-6-5-7-21(23-18)24-13-12-20(14-24)26-19-10-8-17(9-11-19)15(2)22-16(3)25/h5-11,15,20H,4,12-14H2,1-3H3,(H,22,25)/t15-,20+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 90315547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).