N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide

C26H28FN5O3 — CID 22517400

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H28FN5O3/c1-35-24-11-5-3-9-21(24)30-26(34)25(33)29-18-23(19-7-6-12-28-17-19)32-15-13-31(14-16-32)22-10-4-2-8-20(22)27/h2-12,17,23H,13-16,18H2,1H3,(H,29,33)(H,30,34)
InChIKeyRACAAEKVPVHIFM-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.85
Rot. Bonds7

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide (PubChem CID 22517400) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide
PubChem CID22517400
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H28FN5O3/c1-35-24-11-5-3-9-21(24)30-26(34)25(33)29-18-23(19-7-6-12-28-17-19)32-15-13-31(14-16-32)22-10-4-2-8-20(22)27/h2-12,17,23H,13-16,18H2,1H3,(H,29,33)(H,30,34)
InChIKeyRACAAEKVPVHIFM-UHFFFAOYSA-N
XLogP2.85
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide (CID 22517400) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide?
The InChIKey is RACAAEKVPVHIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-35-24-11-5-3-9-21(24)30-26(34)25(33)29-18-23(19-7-6-12-28-17-19)32-15-13-31(14-16-32)22-10-4-2-8-20(22)27/h2-12,17,23H,13-16,18H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide has a molecular weight of 477.54 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 22517400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).