N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide

C15H19N5O3 — CID 133267072

IUPACN-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NC(=O)Cn2ccnn2)cn1
InChIInChI=1S/C15H19N5O3/c1-11-2-3-12(8-16-11)23-14-10-22-7-4-13(14)18-15(21)9-20-6-5-17-19-20/h2-3,5-6,8,13-14H,4,7,9-10H2,1H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyPXEYFAABVPLIKU-UONOGXRCSA-N
MW317.35 g/mol
LogP0.33
Rot. Bonds5

About N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide

N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide (PubChem CID 133267072) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
PubChem CID133267072
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NC(=O)Cn2ccnn2)cn1
InChIInChI=1S/C15H19N5O3/c1-11-2-3-12(8-16-11)23-14-10-22-7-4-13(14)18-15(21)9-20-6-5-17-19-20/h2-3,5-6,8,13-14H,4,7,9-10H2,1H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyPXEYFAABVPLIKU-UONOGXRCSA-N
XLogP0.33
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 91762296
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 133260661
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 91777974
2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
CID 91787096
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
CID 133267645
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607
2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 91763480
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91760405
3-(methanesulfonamido)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
CID 91789955
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide
CID 91771832

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide (CID 133267072) is N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide is Cc1ccc(O[C@@H]2COCC[C@@H]2NC(=O)Cn2ccnn2)cn1.
What is the InChIKey of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide?
The InChIKey is PXEYFAABVPLIKU-UONOGXRCSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-11-2-3-12(8-16-11)23-14-10-22-7-4-13(14)18-15(21)9-20-6-5-17-19-20/h2-3,5-6,8,13-14H,4,7,9-10H2,1H3,(H,18,21)/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide?
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 133267072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).