2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone

C15H20ClN3O — CID 82752372

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncc(C(=O)N2CCC3CCCCC32)cc1Cl
InChIInChI=1S/C15H20ClN3O/c1-17-14-12(16)8-11(9-18-14)15(20)19-7-6-10-4-2-3-5-13(10)19/h8-10,13H,2-7H2,1H3,(H,17,18)
InChIKeyLWDKMYSHUVRDDO-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.18
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone (PubChem CID 82752372) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone
PubChem CID82752372
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncc(C(=O)N2CCC3CCCCC32)cc1Cl
InChIInChI=1S/C15H20ClN3O/c1-17-14-12(16)8-11(9-18-14)15(20)19-7-6-10-4-2-3-5-13(10)19/h8-10,13H,2-7H2,1H3,(H,17,18)
InChIKeyLWDKMYSHUVRDDO-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5,6-dichloro-3-pyridinyl)methanone
CID 78989235
(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
CID 61050917
(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62160898
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 78954215
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2,6-dichloro-4-pyridinyl)methanone
CID 78989284
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(5-chloro-6-hydrazinyl-3-pyridinyl)methanone
CID 62236710
[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63175204
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62167795
[5-chloro-6-(methylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418732
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 78954237
5-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 62166006

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone (CID 82752372) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone is CNc1ncc(C(=O)N2CCC3CCCCC32)cc1Cl.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone?
The InChIKey is LWDKMYSHUVRDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-17-14-12(16)8-11(9-18-14)15(20)19-7-6-10-4-2-3-5-13(10)19/h8-10,13H,2-7H2,1H3,(H,17,18).
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone has a molecular weight of 293.80 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 82752372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).