1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one

C16H16FN3O — CID 67710862

IUPAC1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one
SMILESCCCNC1C(=O)N(c2ccncc2F)c2ccccc21
InChIInChI=1S/C16H16FN3O/c1-2-8-19-15-11-5-3-4-6-13(11)20(16(15)21)14-7-9-18-10-12(14)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyRUHVIXHDJWFOMJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.94
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one

1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one (PubChem CID 67710862) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one
PubChem CID67710862
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one
SMILESCCCNC1C(=O)N(c2ccncc2F)c2ccccc21
InChIInChI=1S/C16H16FN3O/c1-2-8-19-15-11-5-3-4-6-13(11)20(16(15)21)14-7-9-18-10-12(14)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyRUHVIXHDJWFOMJ-UHFFFAOYSA-N
XLogP2.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one (CID 67710862) is 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one is CCCNC1C(=O)N(c2ccncc2F)c2ccccc21.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one?
The InChIKey is RUHVIXHDJWFOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-8-19-15-11-5-3-4-6-13(11)20(16(15)21)14-7-9-18-10-12(14)17/h3-7,9-10,15,19H,2,8H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one?
1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-(propylamino)-3H-indol-2-one is sourced from PubChem (CID 67710862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).