N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide

C13H20N2O3 — CID 134164464

IUPACN-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
SMILESCc1ccc(O)c(CN(C)C(=O)COC(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)18-8-13(17)15(4)7-11-12(16)6-5-10(3)14-11/h5-6,9,16H,7-8H2,1-4H3
InChIKeyPSBFVRPKHRJHPB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.48
Rot. Bonds5

About N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide

N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide (PubChem CID 134164464) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
PubChem CID134164464
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
SMILESCc1ccc(O)c(CN(C)C(=O)COC(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)18-8-13(17)15(4)7-11-12(16)6-5-10(3)14-11/h5-6,9,16H,7-8H2,1-4H3
InChIKeyPSBFVRPKHRJHPB-UHFFFAOYSA-N
XLogP1.48
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide (CID 134164464) is N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide is Cc1ccc(O)c(CN(C)C(=O)COC(C)C)n1.
What is the InChIKey of N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide?
The InChIKey is PSBFVRPKHRJHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)18-8-13(17)15(4)7-11-12(16)6-5-10(3)14-11/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide?
N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide has a molecular weight of 252.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 134164464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).