[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate

C24H26FN5O6 — CID 70342404

IUPAC[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
SMILESCC(=O)NCC1CN(c2ccc(N3CCN(C(=O)COC(=O)c4cccnc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H26FN5O6/c1-16(31)27-13-19-14-30(24(34)36-19)18-4-5-21(20(25)11-18)28-7-9-29(10-8-28)22(32)15-35-23(33)17-3-2-6-26-12-17/h2-6,11-12,19H,7-10,13-15H2,1H3,(H,27,31)
InChIKeyUHIRXVLQAULTGO-UHFFFAOYSA-N
MW499.50 g/mol
LogP1.19
Rot. Bonds7

About [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate

[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 70342404) has the molecular formula C24H26FN5O6 and a molecular weight of 499.50 g/mol. Its IUPAC name is [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
PubChem CID70342404
Molecular FormulaC24H26FN5O6
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC Name[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
SMILESCC(=O)NCC1CN(c2ccc(N3CCN(C(=O)COC(=O)c4cccnc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H26FN5O6/c1-16(31)27-13-19-14-30(24(34)36-19)18-4-5-21(20(25)11-18)28-7-9-29(10-8-28)22(32)15-35-23(33)17-3-2-6-26-12-17/h2-6,11-12,19H,7-10,13-15H2,1H3,(H,27,31)
InChIKeyUHIRXVLQAULTGO-UHFFFAOYSA-N
XLogP1.19
TPSA121.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate 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-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 5035879
pyridin-3-ylmethyl N-[[4-[[4-fluoro-2-[4-(2-methoxyethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781159
pyridin-3-ylmethyl N-[[4-[[5-fluoro-2-[4-(2-methoxyethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781182
pyridin-3-ylmethyl N-[[4-[[5-amino-2-[4-(2-methoxyethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781196
pyridin-3-ylmethyl N-[[4-[[2-[4-(2-methoxyethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781203
Nicotinic acid (4-fluoro-phenylcarbamoyl)-methyl ester
CID 656057
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-chloropyridine-3-carboxylate
CID 2365011
{[4-(Morpholin-4-yl)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2417505
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 4070511
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9389751
1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]ethyl 2-chloropyridine-3-carboxylate
CID 16252484

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate (CID 70342404) is [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate is CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)COC(=O)c4cccnc4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is UHIRXVLQAULTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O6/c1-16(31)27-13-19-14-30(24(34)36-19)18-4-5-21(20(25)11-18)28-7-9-29(10-8-28)22(32)15-35-23(33)17-3-2-6-26-12-17/h2-6,11-12,19H,7-10,13-15H2,1H3,(H,27,31).
What are the key properties of [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 499.50 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 70342404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).