1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide

C16H12F3N3O2 — CID 53162882

IUPAC1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c2cccnc21
InChIInChI=1S/C16H12F3N3O2/c1-22-9-13(12-6-3-7-20-14(12)22)15(23)21-10-4-2-5-11(8-10)24-16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyOHWKSADJNIWQPR-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.72
Rot. Bonds3

About 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide

1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162882) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162882
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c2cccnc21
InChIInChI=1S/C16H12F3N3O2/c1-22-9-13(12-6-3-7-20-14(12)22)15(23)21-10-4-2-5-11(8-10)24-16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyOHWKSADJNIWQPR-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162882) is 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is Cn1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c2cccnc21.
What is the InChIKey of 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is OHWKSADJNIWQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-22-9-13(12-6-3-7-20-14(12)22)15(23)21-10-4-2-5-11(8-10)24-16(17,18)19/h2-9H,1H3,(H,21,23).
What are the key properties of 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).