N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide

C12H17N3O2 — CID 62691246

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(C(=O)Cc1cccnc1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C12H17N3O2/c1-15(10-7-14-8-11(10)16)12(17)5-9-3-2-4-13-6-9/h2-4,6,10-11,14,16H,5,7-8H2,1H3/t10-,11-/m1/s1
InChIKeyVWKREBRWXFNPSE-GHMZBOCLSA-N
MW235.29 g/mol
LogP-0.58
Rot. Bonds3

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide (PubChem CID 62691246) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide
PubChem CID62691246
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(C(=O)Cc1cccnc1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C12H17N3O2/c1-15(10-7-14-8-11(10)16)12(17)5-9-3-2-4-13-6-9/h2-4,6,10-11,14,16H,5,7-8H2,1H3/t10-,11-/m1/s1
InChIKeyVWKREBRWXFNPSE-GHMZBOCLSA-N
XLogP-0.58
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide
CID 110125869
4-[methyl(pyridin-3-ylmethyl)amino]pyrrolidin-3-ol
CID 63701594
N-(4-hydroxycyclohexyl)-N-methyl-2-pyridin-3-ylacetamide
CID 115277422
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 63046152
N-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylacetamide
CID 79715380
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
N-ethyl-N-iodo-2-pyridin-3-ylacetamide
CID 143532975
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylacetamide
CID 71916629
N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
CID 74884134

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide (CID 62691246) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide is CN(C(=O)Cc1cccnc1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide?
The InChIKey is VWKREBRWXFNPSE-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(10-7-14-8-11(10)16)12(17)5-9-3-2-4-13-6-9/h2-4,6,10-11,14,16H,5,7-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide has a molecular weight of 235.29 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 62691246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).