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

C16H16FN3O — CID 67713672

IUPAC1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1NCCCc1ccncc1F
InChIInChI=1S/C16H16FN3O/c17-14-11-18-9-7-12(14)5-3-8-19-20-15-6-2-1-4-13(15)10-16(20)21/h1-2,4,6-7,9,11,19H,3,5,8,10H2
InChIKeyLFVMUKNMINTKKF-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.25
Rot. Bonds5

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

1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one (PubChem CID 67713672) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one
PubChem CID67713672
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1NCCCc1ccncc1F
InChIInChI=1S/C16H16FN3O/c17-14-11-18-9-7-12(14)5-3-8-19-20-15-6-2-1-4-13(15)10-16(20)21/h1-2,4,6-7,9,11,19H,3,5,8,10H2
InChIKeyLFVMUKNMINTKKF-UHFFFAOYSA-N
XLogP2.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one?
The IUPAC name of 1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one (CID 67713672) is 1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one.
What is the SMILES notation for 1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one?
The canonical SMILES for 1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one is O=C1Cc2ccccc2N1NCCCc1ccncc1F.
What is the InChIKey of 1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one?
The InChIKey is LFVMUKNMINTKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-14-11-18-9-7-12(14)5-3-8-19-20-15-6-2-1-4-13(15)10-16(20)21/h1-2,4,6-7,9,11,19H,3,5,8,10H2.
What are the key properties of 1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one?
1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-pyridinyl)propylamino]-3H-indol-2-one is sourced from PubChem (CID 67713672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).