N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide

C19H18FN3O2 — CID 171518291

IUPACN-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3ccccn3)cc2[nH]1)C1CC1
InChIInChI=1S/C19H18FN3O2/c20-16-8-13-7-15(10-22-19(24)12-4-5-12)23-17(13)9-18(16)25-11-14-3-1-2-6-21-14/h1-3,6-9,12,23H,4-5,10-11H2,(H,22,24)
InChIKeyPQFGXHVPYUFFOK-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.31
Rot. Bonds6

About N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide

N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 171518291) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
PubChem CID171518291
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc2cc(F)c(OCc3ccccn3)cc2[nH]1)C1CC1
InChIInChI=1S/C19H18FN3O2/c20-16-8-13-7-15(10-22-19(24)12-4-5-12)23-17(13)9-18(16)25-11-14-3-1-2-6-21-14/h1-3,6-9,12,23H,4-5,10-11H2,(H,22,24)
InChIKeyPQFGXHVPYUFFOK-UHFFFAOYSA-N
XLogP3.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide (CID 171518291) is N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide is O=C(NCc1cc2cc(F)c(OCc3ccccn3)cc2[nH]1)C1CC1.
What is the InChIKey of N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is PQFGXHVPYUFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-8-13-7-15(10-22-19(24)12-4-5-12)23-17(13)9-18(16)25-11-14-3-1-2-6-21-14/h1-3,6-9,12,23H,4-5,10-11H2,(H,22,24).
What are the key properties of N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide?
N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171518291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).