2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide

C15H16N2O2 — CID 168991367

IUPAC2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide
SMILESCc1ccc(C(C)O)c(-c2ccccc2C(N)=O)n1
InChIInChI=1S/C15H16N2O2/c1-9-7-8-11(10(2)18)14(17-9)12-5-3-4-6-13(12)15(16)19/h3-8,10,18H,1-2H3,(H2,16,19)
InChIKeyZSIXJWXTRKNACD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.21
Rot. Bonds3

About 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide

2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide (PubChem CID 168991367) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide
PubChem CID168991367
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide
SMILESCc1ccc(C(C)O)c(-c2ccccc2C(N)=O)n1
InChIInChI=1S/C15H16N2O2/c1-9-7-8-11(10(2)18)14(17-9)12-5-3-4-6-13(12)15(16)19/h3-8,10,18H,1-2H3,(H2,16,19)
InChIKeyZSIXJWXTRKNACD-UHFFFAOYSA-N
XLogP2.21
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide (CID 168991367) is 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide is Cc1ccc(C(C)O)c(-c2ccccc2C(N)=O)n1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide?
The InChIKey is ZSIXJWXTRKNACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-7-8-11(10(2)18)14(17-9)12-5-3-4-6-13(12)15(16)19/h3-8,10,18H,1-2H3,(H2,16,19).
What are the key properties of 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide?
2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]benzamide is sourced from PubChem (CID 168991367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).