3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one

C23H22N4O2 — CID 71140131

IUPAC3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one
SMILESO=c1c(OCc2ccccc2)cccn1CCC(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C23H22N4O2/c28-23-22(29-17-18-8-3-1-4-9-18)12-7-14-27(23)15-13-20(21-16-24-26-25-21)19-10-5-2-6-11-19/h1-12,14,16,20H,13,15,17H2,(H,24,25,26)
InChIKeyJLWCPNLESQYCSL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.77
Rot. Bonds8

About 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one

3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one (PubChem CID 71140131) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one
PubChem CID71140131
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one
SMILESO=c1c(OCc2ccccc2)cccn1CCC(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C23H22N4O2/c28-23-22(29-17-18-8-3-1-4-9-18)12-7-14-27(23)15-13-20(21-16-24-26-25-21)19-10-5-2-6-11-19/h1-12,14,16,20H,13,15,17H2,(H,24,25,26)
InChIKeyJLWCPNLESQYCSL-UHFFFAOYSA-N
XLogP3.77
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-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-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetaldehyde
CID 135229192
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
CID 68510398
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
CID 82151941
N-[3-[bis[3-(2-oxo-3-phenylmethoxy-1-pyridinyl)propyl]amino]propyl]-4-nitro-N-[3-(2-oxo-3-phenylmethoxy-1-pyridinyl)propyl]benzenesulfonamide
CID 52921506
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 94758137
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
4-phenylmethoxytriazolo[1,5-a]pyridine
CID 129296663
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one?
The IUPAC name of 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one (CID 71140131) is 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one.
What is the SMILES notation for 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one?
The canonical SMILES for 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one is O=c1c(OCc2ccccc2)cccn1CCC(c1ccccc1)c1cn[nH]n1.
What is the InChIKey of 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one?
The InChIKey is JLWCPNLESQYCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-23-22(29-17-18-8-3-1-4-9-18)12-7-14-27(23)15-13-20(21-16-24-26-25-21)19-10-5-2-6-11-19/h1-12,14,16,20H,13,15,17H2,(H,24,25,26).
What are the key properties of 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one?
3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one has a molecular weight of 386.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1-[3-phenyl-3-(2H-triazol-4-yl)propyl]pyridin-2-one is sourced from PubChem (CID 71140131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).