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

C16H12F3N3O — CID 53162836

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)11-4-1-3-10(7-11)8-22-15(23)13-9-21-14-12(13)5-2-6-20-14/h1-7,9H,8H2,(H,20,21)(H,22,23)
InChIKeyBVVNPFIIAZXZBR-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.51
Rot. Bonds3

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

N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162836) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162836
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)11-4-1-3-10(7-11)8-22-15(23)13-9-21-14-12(13)5-2-6-20-14/h1-7,9H,8H2,(H,20,21)(H,22,23)
InChIKeyBVVNPFIIAZXZBR-UHFFFAOYSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162836) is N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]c2ncccc12.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is BVVNPFIIAZXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-16(18,19)11-4-1-3-10(7-11)8-22-15(23)13-9-21-14-12(13)5-2-6-20-14/h1-7,9H,8H2,(H,20,21)(H,22,23).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).