2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide

C21H21N3O4 — CID 53367991

IUPAC2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)NCc1cccnc1
InChIInChI=1S/C21H21N3O4/c25-14-18-9-19(26)20(28-15-16-5-2-1-3-6-16)12-24(18)13-21(27)23-11-17-7-4-8-22-10-17/h1-10,12,25H,11,13-15H2,(H,23,27)
InChIKeyPCRQGPIJVKJBMO-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.63
Rot. Bonds8

About 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide

2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 53367991) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID53367991
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)NCc1cccnc1
InChIInChI=1S/C21H21N3O4/c25-14-18-9-19(26)20(28-15-16-5-2-1-3-6-16)12-24(18)13-21(27)23-11-17-7-4-8-22-10-17/h1-10,12,25H,11,13-15H2,(H,23,27)
InChIKeyPCRQGPIJVKJBMO-UHFFFAOYSA-N
XLogP1.63
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 53369854
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
CID 16853801
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 56761874
1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 155679765
2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one
CID 140931594
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide
CID 167438212
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 30838266
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide (CID 53367991) is 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide is O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)NCc1cccnc1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is PCRQGPIJVKJBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-14-18-9-19(26)20(28-15-16-5-2-1-3-6-16)12-24(18)13-21(27)23-11-17-7-4-8-22-10-17/h1-10,12,25H,11,13-15H2,(H,23,27).
What are the key properties of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 53367991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).