N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide

C12H14F3N3O3 — CID 169111998

IUPACN'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
SMILESCOCCN(Cc1ccc(C(F)(F)F)cn1)C(=O)C(N)=O
InChIInChI=1S/C12H14F3N3O3/c1-21-5-4-18(11(20)10(16)19)7-9-3-2-8(6-17-9)12(13,14)15/h2-3,6H,4-5,7H2,1H3,(H2,16,19)
InChIKeyDXTNUIOYXPVZBD-UHFFFAOYSA-N
MW305.26 g/mol
LogP0.56
Rot. Bonds5

About N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide

N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (PubChem CID 169111998) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
PubChem CID169111998
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC NameN'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
SMILESCOCCN(Cc1ccc(C(F)(F)F)cn1)C(=O)C(N)=O
InChIInChI=1S/C12H14F3N3O3/c1-21-5-4-18(11(20)10(16)19)7-9-3-2-8(6-17-9)12(13,14)15/h2-3,6H,4-5,7H2,1H3,(H2,16,19)
InChIKeyDXTNUIOYXPVZBD-UHFFFAOYSA-N
XLogP0.56
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
The IUPAC name of N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (CID 169111998) is N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
The canonical SMILES for N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is COCCN(Cc1ccc(C(F)(F)F)cn1)C(=O)C(N)=O.
What is the InChIKey of N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
The InChIKey is DXTNUIOYXPVZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-21-5-4-18(11(20)10(16)19)7-9-3-2-8(6-17-9)12(13,14)15/h2-3,6H,4-5,7H2,1H3,(H2,16,19).
What are the key properties of N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?
N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide has a molecular weight of 305.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is sourced from PubChem (CID 169111998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).