2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol

C11H14N2O — CID 115866294

IUPAC2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
SMILESCC#CCNCc1nc(C)ccc1O
InChIInChI=1S/C11H14N2O/c1-3-4-7-12-8-10-11(14)6-5-9(2)13-10/h5-6,12,14H,7-8H2,1-2H3
InChIKeyFCJHURKXCWXHDY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.21
Rot. Bonds3

About 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol

2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol (PubChem CID 115866294) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
PubChem CID115866294
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
SMILESCC#CCNCc1nc(C)ccc1O
InChIInChI=1S/C11H14N2O/c1-3-4-7-12-8-10-11(14)6-5-9(2)13-10/h5-6,12,14H,7-8H2,1-2H3
InChIKeyFCJHURKXCWXHDY-UHFFFAOYSA-N
XLogP1.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
CID 116643034
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
CID 115614759
2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928746
6-methyl-2-[[(2-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928537
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527
6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79033199
6-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyridin-3-ol
CID 78943653
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile
CID 104586935
6-methyl-2-[[(3-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928518
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 78928633
2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
CID 79033166

Frequently Asked Questions

What is the IUPAC name of 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol (CID 115866294) is 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol is CC#CCNCc1nc(C)ccc1O.
What is the InChIKey of 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol?
The InChIKey is FCJHURKXCWXHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-4-7-12-8-10-11(14)6-5-9(2)13-10/h5-6,12,14H,7-8H2,1-2H3.
What are the key properties of 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol?
2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol has a molecular weight of 190.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 115866294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).