N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide

C14H14N2O2 — CID 39773386

IUPACN-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(CO)c2)c1
InChIInChI=1S/C14H14N2O2/c1-10(18)16-13-4-2-3-11(7-13)12-5-6-15-14(8-12)9-17/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyIZIROZANYSGSBB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.20
Rot. Bonds3

About N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide

N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide (PubChem CID 39773386) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide
PubChem CID39773386
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(CO)c2)c1
InChIInChI=1S/C14H14N2O2/c1-10(18)16-13-4-2-3-11(7-13)12-5-6-15-14(8-12)9-17/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyIZIROZANYSGSBB-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate
CID 69489732
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 50961962
N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide
CID 39814969
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide
CID 126469747
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
4-(3-acetamidophenyl)benzoate
CID 86306420
N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
CID 82089213
N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide
CID 50983123

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide (CID 39773386) is N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccnc(CO)c2)c1.
What is the InChIKey of N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide?
The InChIKey is IZIROZANYSGSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(18)16-13-4-2-3-11(7-13)12-5-6-15-14(8-12)9-17/h2-8,17H,9H2,1H3,(H,16,18).
What are the key properties of N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide?
N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide has a molecular weight of 242.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 39773386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).