2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide

C18H29N3O3 — CID 168742136

IUPAC2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide
SMILESCOC(C)(COc1ncccc1C)NC(=O)CC1CCC(C)N1C
InChIInChI=1S/C18H29N3O3/c1-13-7-6-10-19-17(13)24-12-18(3,23-5)20-16(22)11-15-9-8-14(2)21(15)4/h6-7,10,14-15H,8-9,11-12H2,1-5H3,(H,20,22)
InChIKeyYAONUNJGUSJSSL-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.12
Rot. Bonds7

About 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide

2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide (PubChem CID 168742136) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide
PubChem CID168742136
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide
SMILESCOC(C)(COc1ncccc1C)NC(=O)CC1CCC(C)N1C
InChIInChI=1S/C18H29N3O3/c1-13-7-6-10-19-17(13)24-12-18(3,23-5)20-16(22)11-15-9-8-14(2)21(15)4/h6-7,10,14-15H,8-9,11-12H2,1-5H3,(H,20,22)
InChIKeyYAONUNJGUSJSSL-UHFFFAOYSA-N
XLogP2.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072035
(2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid
CID 166772595
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 175839939
tert-butyl 2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 156848237
2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 153338973
N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 146423617
2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide
CID 166072132
cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
CID 126872697
2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate
CID 175094358
tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
CID 169204008
(2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide
CID 156875505
2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine
CID 70082064

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide?
The IUPAC name of 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide (CID 168742136) is 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide.
What is the SMILES notation for 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide?
The canonical SMILES for 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide is COC(C)(COc1ncccc1C)NC(=O)CC1CCC(C)N1C.
What is the InChIKey of 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide?
The InChIKey is YAONUNJGUSJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13-7-6-10-19-17(13)24-12-18(3,23-5)20-16(22)11-15-9-8-14(2)21(15)4/h6-7,10,14-15H,8-9,11-12H2,1-5H3,(H,20,22).
What are the key properties of 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide?
2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide is sourced from PubChem (CID 168742136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).