6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide

C15H18FN3O2 — CID 154780869

IUPAC6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C15H18FN3O2/c1-19-4-5-21-11(9-19)7-18-15(20)13-8-17-14-6-10(16)2-3-12(13)14/h2-3,6,8,11,17H,4-5,7,9H2,1H3,(H,18,20)
InChIKeyHRNYYOLBOZGAET-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.37
Rot. Bonds3

About 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide

6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 154780869) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide
PubChem CID154780869
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C15H18FN3O2/c1-19-4-5-21-11(9-19)7-18-15(20)13-8-17-14-6-10(16)2-3-12(13)14/h2-3,6,8,11,17H,4-5,7,9H2,1H3,(H,18,20)
InChIKeyHRNYYOLBOZGAET-UHFFFAOYSA-N
XLogP1.37
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide (CID 154780869) is 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide is CN1CCOC(CNC(=O)c2c[nH]c3cc(F)ccc23)C1.
What is the InChIKey of 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is HRNYYOLBOZGAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-19-4-5-21-11(9-19)7-18-15(20)13-8-17-14-6-10(16)2-3-12(13)14/h2-3,6,8,11,17H,4-5,7,9H2,1H3,(H,18,20).
What are the key properties of 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide?
6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 154780869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).