2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide

C26H29FN4O3 — CID 27505539

IUPAC2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(C)cc2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C26H29FN4O3/c1-19-3-7-21(8-4-19)28-26(33)18-31-17-25(34-2)24(32)15-23(31)16-29-11-13-30(14-12-29)22-9-5-20(27)6-10-22/h3-10,15,17H,11-14,16,18H2,1-2H3,(H,28,33)
InChIKeyWAGYXLUMZPZDBB-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.27
Rot. Bonds7

About 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide

2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide (PubChem CID 27505539) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
PubChem CID27505539
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(C)cc2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C26H29FN4O3/c1-19-3-7-21(8-4-19)28-26(33)18-31-17-25(34-2)24(32)15-23(31)16-29-11-13-30(14-12-29)22-9-5-20(27)6-10-22/h3-10,15,17H,11-14,16,18H2,1-2H3,(H,28,33)
InChIKeyWAGYXLUMZPZDBB-UHFFFAOYSA-N
XLogP3.27
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 18566937
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide
CID 27451939
ethyl 4-[[2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]acetyl]amino]benzoate
CID 27651653
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-(4-nitrophenyl)acetamide
CID 18566955
N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]acetamide
CID 18566990
2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18567001
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27451889
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 27369068
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide
CID 18566961
N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
CID 30544573
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 18566938
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 27444932

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide (CID 27505539) is 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide is COc1cn(CC(=O)Nc2ccc(C)cc2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O.
What is the InChIKey of 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide?
The InChIKey is WAGYXLUMZPZDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-19-3-7-21(8-4-19)28-26(33)18-31-17-25(34-2)24(32)15-23(31)16-29-11-13-30(14-12-29)22-9-5-20(27)6-10-22/h3-10,15,17H,11-14,16,18H2,1-2H3,(H,28,33).
What are the key properties of 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide?
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide has a molecular weight of 464.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 27505539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).