1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

C15H14ClN3O — CID 116593507

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESNc1ncc(Cl)cc1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H14ClN3O/c16-10-6-12(15(17)19-8-10)14(20)5-9-7-18-13-4-2-1-3-11(9)13/h1-4,6,8-9,18H,5,7H2,(H2,17,19)
InChIKeyUTTZODMPUPWTEU-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.10
Rot. Bonds3

About 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 116593507) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID116593507
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESNc1ncc(Cl)cc1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H14ClN3O/c16-10-6-12(15(17)19-8-10)14(20)5-9-7-18-13-4-2-1-3-11(9)13/h1-4,6,8-9,18H,5,7H2,(H2,17,19)
InChIKeyUTTZODMPUPWTEU-UHFFFAOYSA-N
XLogP3.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (CID 116593507) is 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is Nc1ncc(Cl)cc1C(=O)CC1CNc2ccccc21.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is UTTZODMPUPWTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-10-6-12(15(17)19-8-10)14(20)5-9-7-18-13-4-2-1-3-11(9)13/h1-4,6,8-9,18H,5,7H2,(H2,17,19).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 287.75 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 116593507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).