N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide

C13H18N2O3 — CID 106102914

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide
SMILESCC1OCCC1(O)CNC(=O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-10-13(17,5-7-18-10)9-15-12(16)8-11-4-2-3-6-14-11/h2-4,6,10,17H,5,7-9H2,1H3,(H,15,16)
InChIKeyHQAJDGHJGCRCKC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.28
Rot. Bonds4

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide (PubChem CID 106102914) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide
PubChem CID106102914
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide
SMILESCC1OCCC1(O)CNC(=O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-10-13(17,5-7-18-10)9-15-12(16)8-11-4-2-3-6-14-11/h2-4,6,10,17H,5,7-9H2,1H3,(H,15,16)
InChIKeyHQAJDGHJGCRCKC-UHFFFAOYSA-N
XLogP0.28
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
CID 107301519
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302063
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301485
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide
CID 107302188
2-(2,4-dichlorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301999
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide
CID 107302127
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
3,4,5-trichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-2-carboxamide
CID 107302208
3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106099130

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide (CID 106102914) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide is CC1OCCC1(O)CNC(=O)Cc1ccccn1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide?
The InChIKey is HQAJDGHJGCRCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-13(17,5-7-18-10)9-15-12(16)8-11-4-2-3-6-14-11/h2-4,6,10,17H,5,7-9H2,1H3,(H,15,16).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 106102914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).