N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide

C12H18N2O2 — CID 86304110

IUPACN-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)C)c(C)c(C)c1O
InChIInChI=1S/C12H18N2O2/c1-6(2)12(16)14-11-8(4)7(3)10(15)9(5)13-11/h6,15H,1-5H3,(H,13,14,16)
InChIKeyZBDOHBRNKYVQRD-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.31
Rot. Bonds2

About N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide

N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide (PubChem CID 86304110) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide
PubChem CID86304110
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)C)c(C)c(C)c1O
InChIInChI=1S/C12H18N2O2/c1-6(2)12(16)14-11-8(4)7(3)10(15)9(5)13-11/h6,15H,1-5H3,(H,13,14,16)
InChIKeyZBDOHBRNKYVQRD-UHFFFAOYSA-N
XLogP2.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide?
The IUPAC name of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide (CID 86304110) is N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide?
The canonical SMILES for N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide is Cc1nc(NC(=O)C(C)C)c(C)c(C)c1O.
What is the InChIKey of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide?
The InChIKey is ZBDOHBRNKYVQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-6(2)12(16)14-11-8(4)7(3)10(15)9(5)13-11/h6,15H,1-5H3,(H,13,14,16).
What are the key properties of N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide?
N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 86304110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).