N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide

C15H16N2O3 — CID 75500830

IUPACN-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1cnccc1CO)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-20-14(11-5-3-2-4-6-11)15(19)17-13-9-16-8-7-12(13)10-18/h2-9,14,18H,10H2,1H3,(H,17,19)
InChIKeyBXGLAOFZXOTJIO-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.90
Rot. Bonds5

About N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide

N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide (PubChem CID 75500830) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide
PubChem CID75500830
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1cnccc1CO)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-20-14(11-5-3-2-4-6-11)15(19)17-13-9-16-8-7-12(13)10-18/h2-9,14,18H,10H2,1H3,(H,17,19)
InChIKeyBXGLAOFZXOTJIO-UHFFFAOYSA-N
XLogP1.90
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide (CID 75500830) is N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1cnccc1CO)c1ccccc1.
What is the InChIKey of N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide?
The InChIKey is BXGLAOFZXOTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-14(11-5-3-2-4-6-11)15(19)17-13-9-16-8-7-12(13)10-18/h2-9,14,18H,10H2,1H3,(H,17,19).
What are the key properties of N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide?
N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide has a molecular weight of 272.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 75500830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).