1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

C20H19N3O3 — CID 143850273

IUPAC1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESNCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)nc1
InChIInChI=1S/C20H19N3O3/c21-11-16-6-7-18(22-12-16)19(24)13-23-9-8-17(10-20(23)25)26-14-15-4-2-1-3-5-15/h1-10,12H,11,13-14,21H2
InChIKeyOUKFPHFGIGWGCQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.16
Rot. Bonds7

About 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 143850273) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
PubChem CID143850273
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESNCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)nc1
InChIInChI=1S/C20H19N3O3/c21-11-16-6-7-18(22-12-16)19(24)13-23-9-8-17(10-20(23)25)26-14-15-4-2-1-3-5-15/h1-10,12H,11,13-14,21H2
InChIKeyOUKFPHFGIGWGCQ-UHFFFAOYSA-N
XLogP2.16
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one 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

1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
1-[2-(7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulen-3-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143632818
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042869
1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042744
1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one
CID 67007472
4-hydroxy-3-(2-oxo-4-phenylmethoxy-1-pyridinyl)piperidine-1-carboxylic acid
CID 22128556
2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate
CID 81099710
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640
2-(6-oxo-4-phenylmethoxypyrimidin-1-yl)acetamide
CID 21089070
3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one
CID 67007502
4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
CID 58042745

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (CID 143850273) is 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is NCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)nc1.
What is the InChIKey of 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is OUKFPHFGIGWGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-11-16-6-7-18(22-12-16)19(24)13-23-9-8-17(10-20(23)25)26-14-15-4-2-1-3-5-15/h1-10,12H,11,13-14,21H2.
What are the key properties of 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 143850273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).