N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide

C11H16N2O4 — CID 170818483

IUPACN-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)C(O)CO)c(C)n1
InChIInChI=1S/C11H16N2O4/c1-6-8(11(17)9(16)5-14)3-4-10(12-6)13-7(2)15/h3-4,9,11,14,16-17H,5H2,1-2H3,(H,12,13,15)
InChIKeyBYUHMMJUVGAXIF-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.26
Rot. Bonds4

About N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide

N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide (PubChem CID 170818483) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide
PubChem CID170818483
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)C(O)CO)c(C)n1
InChIInChI=1S/C11H16N2O4/c1-6-8(11(17)9(16)5-14)3-4-10(12-6)13-7(2)15/h3-4,9,11,14,16-17H,5H2,1-2H3,(H,12,13,15)
InChIKeyBYUHMMJUVGAXIF-UHFFFAOYSA-N
XLogP-0.26
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide (CID 170818483) is N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide is CC(=O)Nc1ccc(C(O)C(O)CO)c(C)n1.
What is the InChIKey of N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide?
The InChIKey is BYUHMMJUVGAXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-8(11(17)9(16)5-14)3-4-10(12-6)13-7(2)15/h3-4,9,11,14,16-17H,5H2,1-2H3,(H,12,13,15).
What are the key properties of N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide?
N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide has a molecular weight of 240.26 g/mol, XLogP of -0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(1,2,3-trihydroxypropyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170818483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).