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

C22H29N3O3 — CID 91668586

IUPACN-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C22H29N3O3/c1-4-13-27-22-10-7-19(14-23-22)25-12-11-21(15-25)28-20-8-5-18(6-9-20)16(2)24-17(3)26/h5-10,14,16,21H,4,11-13,15H2,1-3H3,(H,24,26)/t16-,21?/m0/s1
InChIKeyBJCKMOXMIRQAFR-BJQOMGFOSA-N
MW383.49 g/mol
LogP3.73
Rot. Bonds8

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

N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 91668586) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID91668586
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C22H29N3O3/c1-4-13-27-22-10-7-19(14-23-22)25-12-11-21(15-25)28-20-8-5-18(6-9-20)16(2)24-17(3)26/h5-10,14,16,21H,4,11-13,15H2,1-3H3,(H,24,26)/t16-,21?/m0/s1
InChIKeyBJCKMOXMIRQAFR-BJQOMGFOSA-N
XLogP3.73
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk-239512
CID 9976892
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
1-{6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl}-5-methyl-2-pyrrolidinone
CID 10430564
1-{6-[(3-Cyclopentyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl}-2-pyrrolidinone
CID 11531262
2-[4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 24765959
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-phenylamine
CID 44372111
N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 70695162

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 91668586) is N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CCCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1.
What is the InChIKey of N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is BJCKMOXMIRQAFR-BJQOMGFOSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-13-27-22-10-7-19(14-23-22)25-12-11-21(15-25)28-20-8-5-18(6-9-20)16(2)24-17(3)26/h5-10,14,16,21H,4,11-13,15H2,1-3H3,(H,24,26)/t16-,21?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.73, 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-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91668586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).