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

C23H31N3O3 — CID 90315360

IUPACN-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1cc(C)c(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C23H31N3O3/c1-5-12-28-23-13-16(2)22(14-24-23)26-11-10-21(15-26)29-20-8-6-19(7-9-20)17(3)25-18(4)27/h6-9,13-14,17,21H,5,10-12,15H2,1-4H3,(H,25,27)/t17-,21?/m0/s1
InChIKeyMOQBGYCZIWMLSD-PBVYKCSPSA-N
MW397.52 g/mol
LogP4.03
Rot. Bonds8

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

N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 90315360) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID90315360
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1cc(C)c(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C23H31N3O3/c1-5-12-28-23-13-16(2)22(14-24-23)26-11-10-21(15-26)29-20-8-6-19(7-9-20)17(3)25-18(4)27/h6-9,13-14,17,21H,5,10-12,15H2,1-4H3,(H,25,27)/t17-,21?/m0/s1
InChIKeyMOQBGYCZIWMLSD-PBVYKCSPSA-N
XLogP4.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide with MolForge

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Related Compounds

11C-Pbr-28
CID 11653141
N-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide
CID 9841240
6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 23646143
N-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]acetamide
CID 10247391
3-{6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl}-1,3-oxazolidin-2-one
CID 10339677
(4R)-1-{6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl}-4-hydroxy-2-pyrrolidinone
CID 10408272
2-[4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 24765959
N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 70695162
N-Pyridin-4-yl-2-p-tolyloxy-acetamide
CID 572152
N-((2-(2-(Fluoro-18F)ethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide
CID 24875298
2-(4-Isopropyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 798146
2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 4827681

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 90315360) is N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CCCOc1cc(C)c(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1.
What is the InChIKey of N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is MOQBGYCZIWMLSD-PBVYKCSPSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-12-28-23-13-16(2)22(14-24-23)26-11-10-21(15-26)29-20-8-6-19(7-9-20)17(3)25-18(4)27/h6-9,13-14,17,21H,5,10-12,15H2,1-4H3,(H,25,27)/t17-,21?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 4.03, 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-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 90315360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).