2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide

C16H23N3O3 — CID 132776423

IUPAC2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1(COC)CCCN1C(=O)Cc1cccnc1
InChIInChI=1S/C16H23N3O3/c1-17-14(20)10-16(12-22-2)6-4-8-19(16)15(21)9-13-5-3-7-18-11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3,(H,17,20)
InChIKeyCEAWQWNREBDWII-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.77
Rot. Bonds6

About 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide

2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide (PubChem CID 132776423) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide
PubChem CID132776423
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1(COC)CCCN1C(=O)Cc1cccnc1
InChIInChI=1S/C16H23N3O3/c1-17-14(20)10-16(12-22-2)6-4-8-19(16)15(21)9-13-5-3-7-18-11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3,(H,17,20)
InChIKeyCEAWQWNREBDWII-UHFFFAOYSA-N
XLogP0.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627495
2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide
CID 126825077
2-[2-(methoxymethyl)-1-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetyl]pyrrolidin-2-yl]acetamide
CID 132764656
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-methyl-2-[8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97396905
(2R)-2-(methoxymethyl)-2-propyl-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99841748
2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
CID 91780791
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
CID 116750546
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide (CID 132776423) is 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide is CNC(=O)CC1(COC)CCCN1C(=O)Cc1cccnc1.
What is the InChIKey of 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide?
The InChIKey is CEAWQWNREBDWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-17-14(20)10-16(12-22-2)6-4-8-19(16)15(21)9-13-5-3-7-18-11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide?
2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide has a molecular weight of 305.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide is sourced from PubChem (CID 132776423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).