5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide

C17H17FN2O2 — CID 144935815

IUPAC5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC1=CC=CC(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)O1
InChIInChI=1S/C17H17FN2O2/c1-10-4-3-5-16(22-10)11(2)19-17(21)15-9-12-8-13(18)6-7-14(12)20-15/h3-9,11,16,20H,1-2H3,(H,19,21)
InChIKeyOAQJTQRJKZMLED-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.28
Rot. Bonds3

About 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide

5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 144935815) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID144935815
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC1=CC=CC(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)O1
InChIInChI=1S/C17H17FN2O2/c1-10-4-3-5-16(22-10)11(2)19-17(21)15-9-12-8-13(18)6-7-14(12)20-15/h3-9,11,16,20H,1-2H3,(H,19,21)
InChIKeyOAQJTQRJKZMLED-UHFFFAOYSA-N
XLogP3.28
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide (CID 144935815) is 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide is CC1=CC=CC(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)O1.
What is the InChIKey of 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is OAQJTQRJKZMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-10-4-3-5-16(22-10)11(2)19-17(21)15-9-12-8-13(18)6-7-14(12)20-15/h3-9,11,16,20H,1-2H3,(H,19,21).
What are the key properties of 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide?
5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(6-methyl-2H-pyran-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 144935815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).