1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone

C17H22Cl2N2O — CID 134466089

IUPAC1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1c(Cl)cncc1Cl)CC1CCC2(CC1)CC2
InChIInChI=1S/C17H22Cl2N2O/c1-21(10-12-2-4-17(5-3-12)6-7-17)11-15(22)16-13(18)8-20-9-14(16)19/h8-9,12H,2-7,10-11H2,1H3
InChIKeyWELVIFWGVSQXMI-UHFFFAOYSA-N
MW341.28 g/mol
LogP4.47
Rot. Bonds5

About 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone

1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone (PubChem CID 134466089) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone
PubChem CID134466089
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1c(Cl)cncc1Cl)CC1CCC2(CC1)CC2
InChIInChI=1S/C17H22Cl2N2O/c1-21(10-12-2-4-17(5-3-12)6-7-17)11-15(22)16-13(18)8-20-9-14(16)19/h8-9,12H,2-7,10-11H2,1H3
InChIKeyWELVIFWGVSQXMI-UHFFFAOYSA-N
XLogP4.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone (CID 134466089) is 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone is CN(CC(=O)c1c(Cl)cncc1Cl)CC1CCC2(CC1)CC2.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone?
The InChIKey is WELVIFWGVSQXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c1-21(10-12-2-4-17(5-3-12)6-7-17)11-15(22)16-13(18)8-20-9-14(16)19/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone?
1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone has a molecular weight of 341.28 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-2-[methyl(spiro[2.5]octan-6-ylmethyl)amino]ethanone is sourced from PubChem (CID 134466089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).