1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide

C17H14F3N3O — CID 53162930

IUPAC1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c2cccnc21
InChIInChI=1S/C17H14F3N3O/c1-2-23-10-14(13-4-3-9-21-15(13)23)16(24)22-12-7-5-11(6-8-12)17(18,19)20/h3-10H,2H2,1H3,(H,22,24)
InChIKeyCLTABWNGTRXVDO-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.33
Rot. Bonds3

About 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide

1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162930) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162930
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c2cccnc21
InChIInChI=1S/C17H14F3N3O/c1-2-23-10-14(13-4-3-9-21-15(13)23)16(24)22-12-7-5-11(6-8-12)17(18,19)20/h3-10H,2H2,1H3,(H,22,24)
InChIKeyCLTABWNGTRXVDO-UHFFFAOYSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162930) is 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c2cccnc21.
What is the InChIKey of 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is CLTABWNGTRXVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-2-23-10-14(13-4-3-9-21-15(13)23)16(24)22-12-7-5-11(6-8-12)17(18,19)20/h3-10H,2H2,1H3,(H,22,24).
What are the key properties of 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).