N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide

C16H23N3O3 — CID 97470570

IUPACN-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCCO[C@@H]1CCN(C(=O)CNC(C)=O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C16H23N3O3/c1-3-22-15-6-8-19(16(21)11-18-12(2)20)14(15)9-13-5-4-7-17-10-13/h4-5,7,10,14-15H,3,6,8-9,11H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyXVXOEVWYVXFTPV-HUUCEWRRSA-N
MW305.38 g/mol
LogP0.77
Rot. Bonds6

About N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 97470570) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID97470570
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCCO[C@@H]1CCN(C(=O)CNC(C)=O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C16H23N3O3/c1-3-22-15-6-8-19(16(21)11-18-12(2)20)14(15)9-13-5-4-7-17-10-13/h4-5,7,10,14-15H,3,6,8-9,11H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyXVXOEVWYVXFTPV-HUUCEWRRSA-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

1-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155848371
(2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 125236994
2-(3-fluorophenyl)-1-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 97391881
(2S,3S)-N-cyclopropyl-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97470631
[(2R,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124793722
N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide
CID 125240073
(6-methyl-3-pyridinyl)-[(2S,3R)-3-prop-2-enoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 97391894
1-[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97470514
(2S,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97470675
1,3-benzodioxol-5-yl-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 97470213
(2,5-dimethylfuran-3-yl)-[(2R,3R)-3-prop-2-enoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 124809911
N-[[5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110095583

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 97470570) is N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide is CCO[C@@H]1CCN(C(=O)CNC(C)=O)[C@@H]1Cc1cccnc1.
What is the InChIKey of N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is XVXOEVWYVXFTPV-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-22-15-6-8-19(16(21)11-18-12(2)20)14(15)9-13-5-4-7-17-10-13/h4-5,7,10,14-15H,3,6,8-9,11H2,1-2H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide 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 N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 97470570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).