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

C26H27F2N5O2 — CID 95043708

IUPACN'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1F
InChIInChI=1S/C26H27F2N5O2/c1-18-8-9-20(15-22(18)28)31-26(35)25(34)30-17-24(19-5-4-10-29-16-19)33-13-11-32(12-14-33)23-7-3-2-6-21(23)27/h2-10,15-16,24H,11-14,17H2,1H3,(H,30,34)(H,31,35)/t24-/m1/s1
InChIKeyGUAACOXFHPTQSK-XMMPIXPASA-N
MW479.53 g/mol
LogP3.29
Rot. Bonds6

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

N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide (PubChem CID 95043708) has the molecular formula C26H27F2N5O2 and a molecular weight of 479.53 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
PubChem CID95043708
Molecular FormulaC26H27F2N5O2
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1F
InChIInChI=1S/C26H27F2N5O2/c1-18-8-9-20(15-22(18)28)31-26(35)25(34)30-17-24(19-5-4-10-29-16-19)33-13-11-32(12-14-33)23-7-3-2-6-21(23)27/h2-10,15-16,24H,11-14,17H2,1H3,(H,30,34)(H,31,35)/t24-/m1/s1
InChIKeyGUAACOXFHPTQSK-XMMPIXPASA-N
XLogP3.29
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 22517408
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(4-methylphenyl)oxamide
CID 94793790
N'-(5-chloro-2-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 95043712
N'-(1,3-benzodioxol-5-yl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 95043704
N'-(3,4-dimethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517373
4-fluoro-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 94793640
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide
CID 4067165
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269193
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 22517341
N'-(4-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]oxamide
CID 92680930
N'-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517366
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40607001

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide (CID 95043708) is N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide is Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide?
The InChIKey is GUAACOXFHPTQSK-XMMPIXPASA-N. The full InChI is InChI=1S/C26H27F2N5O2/c1-18-8-9-20(15-22(18)28)31-26(35)25(34)30-17-24(19-5-4-10-29-16-19)33-13-11-32(12-14-33)23-7-3-2-6-21(23)27/h2-10,15-16,24H,11-14,17H2,1H3,(H,30,34)(H,31,35)/t24-/m1/s1.
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide has a molecular weight of 479.53 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide is sourced from PubChem (CID 95043708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).