6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one

C14H12FN3O — CID 43204826

IUPAC6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCc1ccncc1
InChIInChI=1S/C14H12FN3O/c15-10-1-2-11-12(7-10)18-14(19)13(11)17-8-9-3-5-16-6-4-9/h1-7,13,17H,8H2,(H,18,19)
InChIKeyKXHLHBCBAGVTID-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.00
Rot. Bonds3

About 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one

6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 43204826) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID43204826
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCc1ccncc1
InChIInChI=1S/C14H12FN3O/c15-10-1-2-11-12(7-10)18-14(19)13(11)17-8-9-3-5-16-6-4-9/h1-7,13,17H,8H2,(H,18,19)
InChIKeyKXHLHBCBAGVTID-UHFFFAOYSA-N
XLogP2.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one
CID 114993104
6-fluoro-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one
CID 43206333
6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 16771645
5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43204421
6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43103046
2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide
CID 43567793
3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 115000723
6-fluoro-3-(quinolin-8-ylamino)-1,3-dihydroindol-2-one
CID 43823553
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
CID 43203891
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291
3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride
CID 118162198

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one (CID 43204826) is 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1NCc1ccncc1.
What is the InChIKey of 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is KXHLHBCBAGVTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-10-1-2-11-12(7-10)18-14(19)13(11)17-8-9-3-5-16-6-4-9/h1-7,13,17H,8H2,(H,18,19).
What are the key properties of 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one?
6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 257.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43204826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).