2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide

C13H19N3O2 — CID 166298652

IUPAC2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide
SMILESC[C@@H]1CNC[C@H]1CNC(=O)Cc1cncc(O)c1
InChIInChI=1S/C13H19N3O2/c1-9-4-14-6-11(9)7-16-13(18)3-10-2-12(17)8-15-5-10/h2,5,8-9,11,14,17H,3-4,6-7H2,1H3,(H,16,18)/t9-,11+/m1/s1
InChIKeyQMGZIILBNPFONP-KOLCDFICSA-N
MW249.31 g/mol
LogP0.30
Rot. Bonds4

About 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide

2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 166298652) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide
PubChem CID166298652
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide
SMILESC[C@@H]1CNC[C@H]1CNC(=O)Cc1cncc(O)c1
InChIInChI=1S/C13H19N3O2/c1-9-4-14-6-11(9)7-16-13(18)3-10-2-12(17)8-15-5-10/h2,5,8-9,11,14,17H,3-4,6-7H2,1H3,(H,16,18)/t9-,11+/m1/s1
InChIKeyQMGZIILBNPFONP-KOLCDFICSA-N
XLogP0.30
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-hydroxy-N-[(4-methylpyrrolidin-3-yl)methyl]acetamide
CID 145216170
2-(2,6-difluorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]acetamide
CID 114700053
N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 66181905
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
(2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 63909804
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107035035
2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 115597585
2-hydroxy-5-methoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955702
2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 114700062
1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 103117492

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide (CID 166298652) is 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide is C[C@@H]1CNC[C@H]1CNC(=O)Cc1cncc(O)c1.
What is the InChIKey of 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is QMGZIILBNPFONP-KOLCDFICSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-4-14-6-11(9)7-16-13(18)3-10-2-12(17)8-15-5-10/h2,5,8-9,11,14,17H,3-4,6-7H2,1H3,(H,16,18)/t9-,11+/m1/s1.
What are the key properties of 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide?
2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-3-pyridinyl)-N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 166298652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).