2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide

C15H17N3O3 — CID 79156737

IUPAC2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
SMILESCc1ccc(O)c(CNc2ccc(OCC(N)=O)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-2-7-14(19)13(18-10)8-17-11-3-5-12(6-4-11)21-9-15(16)20/h2-7,17,19H,8-9H2,1H3,(H2,16,20)
InChIKeyXBYFGNGFXHYCJR-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.57
Rot. Bonds6

About 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide

2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide (PubChem CID 79156737) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
PubChem CID79156737
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
SMILESCc1ccc(O)c(CNc2ccc(OCC(N)=O)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-2-7-14(19)13(18-10)8-17-11-3-5-12(6-4-11)21-9-15(16)20/h2-7,17,19H,8-9H2,1H3,(H2,16,20)
InChIKeyXBYFGNGFXHYCJR-UHFFFAOYSA-N
XLogP1.57
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
CID 79156755
2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide
CID 103347536
2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol
CID 79162732
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
N-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-2-methylphenyl]acetamide
CID 78964135
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
CID 66398106
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide (CID 79156737) is 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide is Cc1ccc(O)c(CNc2ccc(OCC(N)=O)cc2)n1.
What is the InChIKey of 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide?
The InChIKey is XBYFGNGFXHYCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-2-7-14(19)13(18-10)8-17-11-3-5-12(6-4-11)21-9-15(16)20/h2-7,17,19H,8-9H2,1H3,(H2,16,20).
What are the key properties of 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide?
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 79156737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).