(2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

C15H21N3O3 — CID 94020849

IUPAC(2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C15H21N3O3/c1-3-21-15-12(6-4-8-16-15)10-17-14(20)13-7-5-9-18(13)11(2)19/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyVFTOAXRZNMVXAZ-ZDUSSCGKSA-N
MW291.35 g/mol
LogP1.11
Rot. Bonds5

About (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 94020849) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID94020849
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C15H21N3O3/c1-3-21-15-12(6-4-8-16-15)10-17-14(20)13-7-5-9-18(13)11(2)19/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyVFTOAXRZNMVXAZ-ZDUSSCGKSA-N
XLogP1.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(1R,5S,6R)-N-{2-methyl-1-[(3-methylpyridin-2-yl)oxy]propan-2-yl}-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294067
6-{[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 10339570
6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 23646143
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-3-pyridinyl)methyl)amino)-6-methyl-
CID 454346
1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(pyridin-2-yloxy)pyrrolidin-1-yl)ethanone
CID 44598903
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridin-2-yloxy)pyrrolidin-2-yl)methanone
CID 46888328
US11045457, Example 110
CID 146401856
US11045457, Example 33
CID 146422009
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
1-(2-methoxybenzyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)prolinamide
CID 3243598
N~1~-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}-L-alaninamide
CID 56759592
N-cyclohexyl-6-pentoxypyridine-3-carboxamide
CID 71454767

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 94020849) is (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is CCOc1ncccc1CNC(=O)[C@@H]1CCCN1C(C)=O.
What is the InChIKey of (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VFTOAXRZNMVXAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-21-15-12(6-4-8-16-15)10-17-14(20)13-7-5-9-18(13)11(2)19/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94020849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).