1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

C21H18FN3O2 — CID 122654150

IUPAC1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(O)c2)ccn1
InChIInChI=1S/C21H18FN3O2/c22-17-5-4-13(11-19(17)26)10-14-6-8-24-20(12-14)25-9-7-15-16(21(23)27)2-1-3-18(15)25/h1-6,8,11-12,26H,7,9-10H2,(H2,23,27)
InChIKeyYZTYARVASTUYKD-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.31
Rot. Bonds4

About 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122654150) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122654150
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(O)c2)ccn1
InChIInChI=1S/C21H18FN3O2/c22-17-5-4-13(11-19(17)26)10-14-6-8-24-20(12-14)25-9-7-15-16(21(23)27)2-1-3-18(15)25/h1-6,8,11-12,26H,7,9-10H2,(H2,23,27)
InChIKeyYZTYARVASTUYKD-UHFFFAOYSA-N
XLogP3.31
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122654150) is 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(O)c2)ccn1.
What is the InChIKey of 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is YZTYARVASTUYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-17-5-4-13(11-19(17)26)10-14-6-8-24-20(12-14)25-9-7-15-16(21(23)27)2-1-3-18(15)25/h1-6,8,11-12,26H,7,9-10H2,(H2,23,27).
What are the key properties of 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122654150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).