5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide

C16H11F3N2O2 — CID 16802381

IUPAC5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C16H11F3N2O2/c1-9-5-6-13-12(20-9)8-14(23-13)15(22)21-11-4-2-3-10(7-11)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyZCALAKBEVUQAKY-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.41
Rot. Bonds2

About 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide

5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 16802381) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
PubChem CID16802381
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C16H11F3N2O2/c1-9-5-6-13-12(20-9)8-14(23-13)15(22)21-11-4-2-3-10(7-11)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyZCALAKBEVUQAKY-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide
CID 19119008
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 104606992
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide
CID 10020572
2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 1265822
4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
CID 90485584
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 130386733
2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 118986422

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide (CID 16802381) is 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide is Cc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2n1.
What is the InChIKey of 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZCALAKBEVUQAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-9-5-6-13-12(20-9)8-14(23-13)15(22)21-11-4-2-3-10(7-11)16(17,18)19/h2-8H,1H3,(H,21,22).
What are the key properties of 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 320.27 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16802381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).