N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide

C12H18N2O — CID 146162150

IUPACN-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(C)c(C)c(C)n1
InChIInChI=1S/C12H18N2O/c1-7-6-12(10(4)13-11(5)15)14-9(3)8(7)2/h6,10H,1-5H3,(H,13,15)/t10-/m0/s1
InChIKeyOHMVRQDWWWGHOJ-JTQLQIEISA-N
MW206.29 g/mol
LogP2.20
Rot. Bonds2

About N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide

N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide (PubChem CID 146162150) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide
PubChem CID146162150
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(C)c(C)c(C)n1
InChIInChI=1S/C12H18N2O/c1-7-6-12(10(4)13-11(5)15)14-9(3)8(7)2/h6,10H,1-5H3,(H,13,15)/t10-/m0/s1
InChIKeyOHMVRQDWWWGHOJ-JTQLQIEISA-N
XLogP2.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide (CID 146162150) is N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide is CC(=O)N[C@@H](C)c1cc(C)c(C)c(C)n1.
What is the InChIKey of N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide?
The InChIKey is OHMVRQDWWWGHOJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O/c1-7-6-12(10(4)13-11(5)15)14-9(3)8(7)2/h6,10H,1-5H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide?
N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide has a molecular weight of 206.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 146162150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).