5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

C17H16FN3O2 — CID 53134394

IUPAC5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccccc3F)n2C)c1=O
InChIInChI=1S/C17H16FN3O2/c1-3-21-9-8-14-11(17(21)23)10-15(20(14)2)16(22)19-13-7-5-4-6-12(13)18/h4-10H,3H2,1-2H3,(H,19,22)
InChIKeyNSTBDBZUTFZZDY-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.75
Rot. Bonds3

About 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53134394) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53134394
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccccc3F)n2C)c1=O
InChIInChI=1S/C17H16FN3O2/c1-3-21-9-8-14-11(17(21)23)10-15(20(14)2)16(22)19-13-7-5-4-6-12(13)18/h4-10H,3H2,1-2H3,(H,19,22)
InChIKeyNSTBDBZUTFZZDY-UHFFFAOYSA-N
XLogP2.75
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (CID 53134394) is 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is CCn1ccc2c(cc(C(=O)Nc3ccccc3F)n2C)c1=O.
What is the InChIKey of 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is NSTBDBZUTFZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-3-21-9-8-14-11(17(21)23)10-15(20(14)2)16(22)19-13-7-5-4-6-12(13)18/h4-10H,3H2,1-2H3,(H,19,22).
What are the key properties of 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-fluorophenyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).