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

C24H31N3O3 — CID 90315280

IUPACN-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCCC4CC4)c3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(26-18(2)28)20-5-7-22(8-6-20)30-23-10-13-27(16-23)21-9-12-25-24(15-21)29-14-11-19-3-4-19/h5-9,12,15,17,19,23H,3-4,10-11,13-14,16H2,1-2H3,(H,26,28)/t17-,23+/m0/s1
InChIKeyYARKRVOMOIDALX-GAJHUEQPSA-N
MW409.53 g/mol
LogP4.12
Rot. Bonds9

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

N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 90315280) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID90315280
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCCC4CC4)c3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(26-18(2)28)20-5-7-22(8-6-20)30-23-10-13-27(16-23)21-9-12-25-24(15-21)29-14-11-19-3-4-19/h5-9,12,15,17,19,23H,3-4,10-11,13-14,16H2,1-2H3,(H,26,28)/t17-,23+/m0/s1
InChIKeyYARKRVOMOIDALX-GAJHUEQPSA-N
XLogP4.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide with MolForge

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Related Compounds

N-Pyridin-4-yl-2-p-tolyloxy-acetamide
CID 572152
2-(3-methylphenoxy)-N-(4-pyridinyl)acetamide
CID 814788
2-(4-Isopropyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 798146
2-(4-tert-pentylphenoxy)-N-(4-pyridinyl)acetamide
CID 839550
N-Pyridin-4-yl-2-o-tolyloxy-acetamide
CID 1101312
2-[4-(4-methylphenoxy)phenoxy]-N-pyridin-4-ylacetamide
CID 2318546
2-(4-methylphenoxy)-N-4-pyridinylpropanamide
CID 6472042
N-[(2S)-4-(4-{[6-(propan-2-yloxy)pyridin-3-yl]oxy}phenyl)butan-2-yl]acetamide
CID 44554862
(5R)-3-((6-(1-cyclohexylethoxy)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591712
N-(4-(4-(5-(cyclopentyloxy)pyridin-2-yloxy)phenyl)butan-2-yl)acetamide
CID 44608464
N-{3-[4-(5-Benzyloxypyridin-2-yloxy)phenyl]-1-methylpropyl}acetamide
CID 44608622
N-{3-[4-(5-Isopropoxypyridin-2-yloxy)phenyl]-1-methylpropyl}acetamide
CID 44608623

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 90315280) is N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCCC4CC4)c3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is YARKRVOMOIDALX-GAJHUEQPSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(26-18(2)28)20-5-7-22(8-6-20)30-23-10-13-27(16-23)21-9-12-25-24(15-21)29-14-11-19-3-4-19/h5-9,12,15,17,19,23H,3-4,10-11,13-14,16H2,1-2H3,(H,26,28)/t17-,23+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 90315280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).