N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide

C15H19F3N4O2 — CID 51971203

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H19F3N4O2/c1-2-22-7-3-4-11(22)9-20-13(23)14(24)21-10-5-6-12(19-8-10)15(16,17)18/h5-6,8,11H,2-4,7,9H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeyZIYOSXIOMUBTIC-NSHDSACASA-N
MW344.34 g/mol
LogP1.64
Rot. Bonds4

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide (PubChem CID 51971203) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
PubChem CID51971203
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H19F3N4O2/c1-2-22-7-3-4-11(22)9-20-13(23)14(24)21-10-5-6-12(19-8-10)15(16,17)18/h5-6,8,11H,2-4,7,9H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeyZIYOSXIOMUBTIC-NSHDSACASA-N
XLogP1.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 3156748
N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 7255910
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 124568286
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)thiourea
CID 42943839
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 7242428
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
CID 2206007
3-[[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoacetyl]amino]-4-methylbenzoic acid
CID 51053262
N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 124568281
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide (CID 51971203) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide is CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide?
The InChIKey is ZIYOSXIOMUBTIC-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-2-22-7-3-4-11(22)9-20-13(23)14(24)21-10-5-6-12(19-8-10)15(16,17)18/h5-6,8,11H,2-4,7,9H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide has a molecular weight of 344.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide is sourced from PubChem (CID 51971203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).