2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide

C25H26FN5O5 — CID 27451939

IUPAC2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide
SMILESCOc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C25H26FN5O5/c1-36-24-16-30(17-25(33)27-19-3-2-4-21(13-19)31(34)35)22(14-23(24)32)15-28-9-11-29(12-10-28)20-7-5-18(26)6-8-20/h2-8,13-14,16H,9-12,15,17H2,1H3,(H,27,33)
InChIKeyAHJLHCZPAGIBJG-UHFFFAOYSA-N
MW495.51 g/mol
LogP2.87
Rot. Bonds8

About 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide

2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide (PubChem CID 27451939) has the molecular formula C25H26FN5O5 and a molecular weight of 495.51 g/mol. Its IUPAC name is 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide
PubChem CID27451939
Molecular FormulaC25H26FN5O5
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide
SMILESCOc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C25H26FN5O5/c1-36-24-16-30(17-25(33)27-19-3-2-4-21(13-19)31(34)35)22(14-23(24)32)15-28-9-11-29(12-10-28)20-7-5-18(26)6-8-20/h2-8,13-14,16H,9-12,15,17H2,1H3,(H,27,33)
InChIKeyAHJLHCZPAGIBJG-UHFFFAOYSA-N
XLogP2.87
TPSA109.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide with MolForge

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Related Compounds

2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-(4-nitrophenyl)acetamide
CID 18566955
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 27505539
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 27444932
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 27369068
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-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 44826938
ethyl 4-[[2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]acetyl]amino]benzoate
CID 27651653
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-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 18566890
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
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27603366
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144

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-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide (CID 27451939) is 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide is COc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)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-(3-nitrophenyl)acetamide?
The InChIKey is AHJLHCZPAGIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O5/c1-36-24-16-30(17-25(33)27-19-3-2-4-21(13-19)31(34)35)22(14-23(24)32)15-28-9-11-29(12-10-28)20-7-5-18(26)6-8-20/h2-8,13-14,16H,9-12,15,17H2,1H3,(H,27,33).
What are the key properties of 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide?
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide has a molecular weight of 495.51 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-(3-nitrophenyl)acetamide is sourced from PubChem (CID 27451939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).