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

C20H23F2N3O2 — CID 90315418

IUPACN-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3cccc(C(F)F)n3)C2)cc1
InChIInChI=1S/C20H23F2N3O2/c1-13(23-14(2)26)15-6-8-16(9-7-15)27-17-10-11-25(12-17)19-5-3-4-18(24-19)20(21)22/h3-9,13,17,20H,10-12H2,1-2H3,(H,23,26)/t13-,17?/m0/s1
InChIKeyXGLPZYROFTYFAU-CWQZNGJJSA-N
MW375.42 g/mol
LogP3.87
Rot. Bonds6

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

N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 90315418) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID90315418
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC NameN-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3cccc(C(F)F)n3)C2)cc1
InChIInChI=1S/C20H23F2N3O2/c1-13(23-14(2)26)15-6-8-16(9-7-15)27-17-10-11-25(12-17)19-5-3-4-18(24-19)20(21)22/h3-9,13,17,20H,10-12H2,1-2H3,(H,23,26)/t13-,17?/m0/s1
InChIKeyXGLPZYROFTYFAU-CWQZNGJJSA-N
XLogP3.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10155760, Example 12
CID 118420154
6-(3,4-difluorophenyl)-4-(4-methoxybenzyl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272848
6-(4-fluorophenyl)-4-(4-methoxybenzyl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273795
6-(((3S,4S)/(3R,4R)-4-(2-(2-(3-Fluorophenoxy)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
CID 46880968
(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
CID 57404708
(2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxy-2-[(2-hydroxyacetyl)amino]propanamide
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(2S)-2-acetamido-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
CID 57407169
N-(2-methoxy-1-(4-(trifluoromethoxy)phenyl)ethyl)-6-methyl-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide
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2-(2-methylphenoxy)-N-(6-methylpyridin-2-yl)propanamide
CID 2976902
N-(4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 10025637
2-(3-Cyclopentyloxyphenyl)-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 76317821
2-(3-Propan-2-yloxyphenyl)-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 90315418) is N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3cccc(C(F)F)n3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is XGLPZYROFTYFAU-CWQZNGJJSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-13(23-14(2)26)15-6-8-16(9-7-15)27-17-10-11-25(12-17)19-5-3-4-18(24-19)20(21)22/h3-9,13,17,20H,10-12H2,1-2H3,(H,23,26)/t13-,17?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 375.42 g/mol, XLogP of 3.87, 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-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 90315418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).