(6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone

C15H14FN3O — CID 103502155

IUPAC(6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cnccc1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H14FN3O/c1-17-13-9-18-6-4-12(13)15(20)19-7-5-10-2-3-11(16)8-14(10)19/h2-4,6,8-9,17H,5,7H2,1H3
InChIKeyIPKCRIJABMZIMH-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.47
Rot. Bonds2

About (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone

(6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone (PubChem CID 103502155) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
PubChem CID103502155
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name(6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cnccc1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H14FN3O/c1-17-13-9-18-6-4-12(13)15(20)19-7-5-10-2-3-11(16)8-14(10)19/h2-4,6,8-9,17H,5,7H2,1H3
InChIKeyIPKCRIJABMZIMH-UHFFFAOYSA-N
XLogP2.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
(3-chloro-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103714816
(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
CID 105068094
(6-fluoro-2,3-dihydroindol-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 103502364
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103504881
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 103496498
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
(2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 107037112

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone (CID 103502155) is (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone is CNc1cnccc1C(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The InChIKey is IPKCRIJABMZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-17-13-9-18-6-4-12(13)15(20)19-7-5-10-2-3-11(16)8-14(10)19/h2-4,6,8-9,17H,5,7H2,1H3.
What are the key properties of (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
(6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone has a molecular weight of 271.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 103502155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).