N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide

C14H10F3N3O2 — CID 108532495

IUPACN'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3N3O2/c1-7-3-2-6-18-12(7)20-14(22)13(21)19-9-5-4-8(15)10(16)11(9)17/h2-6H,1H3,(H,19,21)(H,18,20,22)
InChIKeyKZPUPDJVSIACSZ-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.38
Rot. Bonds2

About N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide

N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108532495) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
PubChem CID108532495
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC NameN'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3N3O2/c1-7-3-2-6-18-12(7)20-14(22)13(21)19-9-5-4-8(15)10(16)11(9)17/h2-6H,1H3,(H,19,21)(H,18,20,22)
InChIKeyKZPUPDJVSIACSZ-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108532491
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500634
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939
N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 44997063
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
N-(2-methoxy-5-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 44997061
N-(3-methyl-2-pyridinyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519230
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide
CID 108518697
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide (CID 108532495) is N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide is Cc1cccnc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is KZPUPDJVSIACSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c1-7-3-2-6-18-12(7)20-14(22)13(21)19-9-5-4-8(15)10(16)11(9)17/h2-6H,1H3,(H,19,21)(H,18,20,22).
What are the key properties of N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide?
N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 309.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108532495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).