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

C24H31N3O3 — CID 90315446

IUPACN-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4C)c3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-16-12-20(16)15-29-24-13-21(8-10-25-24)27-11-9-23(14-27)30-22-6-4-19(5-7-22)17(2)26-18(3)28/h4-8,10,13,16-17,20,23H,9,11-12,14-15H2,1-3H3,(H,26,28)/t16?,17-,20?,23+/m0/s1
InChIKeyOBBNPTBEOJBVEB-QJJLCEAZSA-N
MW409.53 g/mol
LogP3.97
Rot. Bonds8

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

N-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 90315446) 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-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID90315446
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4C)c3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-16-12-20(16)15-29-24-13-21(8-10-25-24)27-11-9-23(14-27)30-22-6-4-19(5-7-22)17(2)26-18(3)28/h4-8,10,13,16-17,20,23H,9,11-12,14-15H2,1-3H3,(H,26,28)/t16?,17-,20?,23+/m0/s1
InChIKeyOBBNPTBEOJBVEB-QJJLCEAZSA-N
XLogP3.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 90315446) is N-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4C)c3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is OBBNPTBEOJBVEB-QJJLCEAZSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-16-12-20(16)15-29-24-13-21(8-10-25-24)27-11-9-23(14-27)30-22-6-4-19(5-7-22)17(2)26-18(3)28/h4-8,10,13,16-17,20,23H,9,11-12,14-15H2,1-3H3,(H,26,28)/t16?,17-,20?,23+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.97, 8 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-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 90315446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).