N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide

C13H19N3O3 — CID 162801826

IUPACN-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1OCC(NCc2ccccn2)C1O
InChIInChI=1S/C13H19N3O3/c1-9(17)15-7-12-13(18)11(8-19-12)16-6-10-4-2-3-5-14-10/h2-5,11-13,16,18H,6-8H2,1H3,(H,15,17)
InChIKeyQYLWYVIULSUZFF-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.56
Rot. Bonds5

About N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide

N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide (PubChem CID 162801826) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide
PubChem CID162801826
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1OCC(NCc2ccccn2)C1O
InChIInChI=1S/C13H19N3O3/c1-9(17)15-7-12-13(18)11(8-19-12)16-6-10-4-2-3-5-14-10/h2-5,11-13,16,18H,6-8H2,1H3,(H,15,17)
InChIKeyQYLWYVIULSUZFF-UHFFFAOYSA-N
XLogP-0.56
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide
CID 75536658
N-[[(2R,3S,4R)-4-[bis(pyridin-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536471
N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536563
1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea
CID 75536774
N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 162790079
4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536529
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide (CID 162801826) is N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide is CC(=O)NCC1OCC(NCc2ccccn2)C1O.
What is the InChIKey of N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide?
The InChIKey is QYLWYVIULSUZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(17)15-7-12-13(18)11(8-19-12)16-6-10-4-2-3-5-14-10/h2-5,11-13,16,18H,6-8H2,1H3,(H,15,17).
What are the key properties of N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide?
N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 162801826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).