4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide

C14H12F3N3O — CID 154040816

IUPAC4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
SMILESCc1cc[nH]c(=O)c1/C(N)=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O/c1-8-5-6-19-13(21)11(8)12(18)20-10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyQFWNXRBYECRGAF-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.74
Rot. Bonds2

About 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide

4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide (PubChem CID 154040816) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
PubChem CID154040816
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
SMILESCc1cc[nH]c(=O)c1/C(N)=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O/c1-8-5-6-19-13(21)11(8)12(18)20-10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyQFWNXRBYECRGAF-UHFFFAOYSA-N
XLogP2.74
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide (CID 154040816) is 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide is Cc1cc[nH]c(=O)c1/C(N)=N/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide?
The InChIKey is QFWNXRBYECRGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-8-5-6-19-13(21)11(8)12(18)20-10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide?
4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide has a molecular weight of 295.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 154040816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).