N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide

C24H26FN5O3 — CID 12005938

IUPACN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN5O3/c25-19-5-7-20(8-6-19)29-10-12-30(13-11-29)21(22-4-2-14-33-22)17-28-24(32)23(31)27-16-18-3-1-9-26-15-18/h1-9,14-15,21H,10-13,16-17H2,(H,27,31)(H,28,32)
InChIKeyVOSUNPPOLFKIAI-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.11
Rot. Bonds7

About N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide

N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 12005938) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID12005938
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC NameN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN5O3/c25-19-5-7-20(8-6-19)29-10-12-30(13-11-29)21(22-4-2-14-33-22)17-28-24(32)23(31)27-16-18-3-1-9-26-15-18/h1-9,14-15,21H,10-13,16-17H2,(H,27,31)(H,28,32)
InChIKeyVOSUNPPOLFKIAI-UHFFFAOYSA-N
XLogP2.11
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.11
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-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide (CID 12005938) is N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is VOSUNPPOLFKIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c25-19-5-7-20(8-6-19)29-10-12-30(13-11-29)21(22-4-2-14-33-22)17-28-24(32)23(31)27-16-18-3-1-9-26-15-18/h1-9,14-15,21H,10-13,16-17H2,(H,27,31)(H,28,32).
What are the key properties of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 451.50 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 12005938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).