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

C23H29N3O3 — CID 90315371

IUPACN-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CCC4)c3)C2)cc1
InChIInChI=1S/C23H29N3O3/c1-16(25-17(2)27)18-6-8-21(9-7-18)28-22-11-13-26(15-22)19-10-12-24-23(14-19)29-20-4-3-5-20/h6-10,12,14,16,20,22H,3-5,11,13,15H2,1-2H3,(H,25,27)/t16-,22+/m0/s1
InChIKeyNVHRCDAEUFKEFQ-KSFYIVLOSA-N
MW395.50 g/mol
LogP3.87
Rot. Bonds7

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

N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 90315371) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID90315371
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CCC4)c3)C2)cc1
InChIInChI=1S/C23H29N3O3/c1-16(25-17(2)27)18-6-8-21(9-7-18)28-22-11-13-26(15-22)19-10-12-24-23(14-19)29-20-4-3-5-20/h6-10,12,14,16,20,22H,3-5,11,13,15H2,1-2H3,(H,25,27)/t16-,22+/m0/s1
InChIKeyNVHRCDAEUFKEFQ-KSFYIVLOSA-N
XLogP3.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-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-cyanophenoxy)-N-pyridin-4-ylacetamide
CID 2403408
2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 90315371) is N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CCC4)c3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is NVHRCDAEUFKEFQ-KSFYIVLOSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(25-17(2)27)18-6-8-21(9-7-18)28-22-11-13-26(15-22)19-10-12-24-23(14-19)29-20-4-3-5-20/h6-10,12,14,16,20,22H,3-5,11,13,15H2,1-2H3,(H,25,27)/t16-,22+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.87, 7 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-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 90315371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).