4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one

C23H26N4O2 — CID 170504050

IUPAC4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one
SMILESCOc1ccc(CN2CCN(c3ccncc3C)CC2)cc1-c1cc[nH]c(=O)c1
InChIInChI=1S/C23H26N4O2/c1-17-15-24-7-6-21(17)27-11-9-26(10-12-27)16-18-3-4-22(29-2)20(13-18)19-5-8-25-23(28)14-19/h3-8,13-15H,9-12,16H2,1-2H3,(H,25,28)
InChIKeyQQHGOMYWPFRGLI-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.08
Rot. Bonds5

About 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one

4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one (PubChem CID 170504050) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one
PubChem CID170504050
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one
SMILESCOc1ccc(CN2CCN(c3ccncc3C)CC2)cc1-c1cc[nH]c(=O)c1
InChIInChI=1S/C23H26N4O2/c1-17-15-24-7-6-21(17)27-11-9-26(10-12-27)16-18-3-4-22(29-2)20(13-18)19-5-8-25-23(28)14-19/h3-8,13-15H,9-12,16H2,1-2H3,(H,25,28)
InChIKeyQQHGOMYWPFRGLI-UHFFFAOYSA-N
XLogP3.08
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(3-methyl-4-pyridinyl)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,4-diazepane
CID 70724320
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1131781
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one
CID 53191798
4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 146109753
5-[[4-(3-bromo-4-pyridinyl)piperazin-1-yl]methyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)isoindole-1,3-dione
CID 172611329
4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138378750
5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 171994632
N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide
CID 134700861
2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 3756796
4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one
CID 166620077
1-(5-methoxypyrimidin-2-yl)-4-(3-methyl-4-pyridinyl)-1,4-diazepane
CID 70726809
3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
CID 56722412

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one (CID 170504050) is 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one is COc1ccc(CN2CCN(c3ccncc3C)CC2)cc1-c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one?
The InChIKey is QQHGOMYWPFRGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-15-24-7-6-21(17)27-11-9-26(10-12-27)16-18-3-4-22(29-2)20(13-18)19-5-8-25-23(28)14-19/h3-8,13-15H,9-12,16H2,1-2H3,(H,25,28).
What are the key properties of 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one?
4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one has a molecular weight of 390.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 170504050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).