2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one

C20H15N3O2 — CID 159615706

IUPAC2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one
SMILESO=C1CC(COc2ccccc2-c2ccncc2)=Nc2cnccc21
InChIInChI=1S/C20H15N3O2/c24-19-11-15(23-18-12-22-10-7-17(18)19)13-25-20-4-2-1-3-16(20)14-5-8-21-9-6-14/h1-10,12H,11,13H2
InChIKeyMNGHBKUOASPUDR-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.88
Rot. Bonds4

About 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one

2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one (PubChem CID 159615706) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one
PubChem CID159615706
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one
SMILESO=C1CC(COc2ccccc2-c2ccncc2)=Nc2cnccc21
InChIInChI=1S/C20H15N3O2/c24-19-11-15(23-18-12-22-10-7-17(18)19)13-25-20-4-2-1-3-16(20)14-5-8-21-9-6-14/h1-10,12H,11,13H2
InChIKeyMNGHBKUOASPUDR-UHFFFAOYSA-N
XLogP3.88
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-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

2-[(4-fluorophenoxy)methyl]-3H-1,7-naphthyridin-4-one
CID 159425716
2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one
CID 149037989
4-(2-ethoxyphenyl)pyridine
CID 23466193
4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
CID 13115153
1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one
CID 161218942
1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one
CID 54194916
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol
CID 45200033
11-(2-phenylphenoxy)-1-pyridin-3-ylundecan-3-one
CID 147752746
9H-indeno[2,1-c]pyridine
CID 597466
1-[4-[[2-(4-methylsulfonylphenyl)phenoxy]methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147923950
4-(2-piperidin-4-yloxyphenyl)pyridine
CID 117051581

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one?
The IUPAC name of 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one (CID 159615706) is 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one.
What is the SMILES notation for 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one?
The canonical SMILES for 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one is O=C1CC(COc2ccccc2-c2ccncc2)=Nc2cnccc21.
What is the InChIKey of 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one?
The InChIKey is MNGHBKUOASPUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19-11-15(23-18-12-22-10-7-17(18)19)13-25-20-4-2-1-3-16(20)14-5-8-21-9-6-14/h1-10,12H,11,13H2.
What are the key properties of 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one?
2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-4-ylphenoxy)methyl]-3H-1,7-naphthyridin-4-one is sourced from PubChem (CID 159615706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).