3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine

C12H17Cl2N3 — CID 102756425

IUPAC3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
SMILESCCC1CCCN1c1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-3-8-5-4-6-17(8)12-10(14)7-9(13)11(15-2)16-12/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyBSTJLZYPZKKRQG-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.81
Rot. Bonds3

About 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine

3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine (PubChem CID 102756425) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
PubChem CID102756425
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
SMILESCCC1CCCN1c1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-3-8-5-4-6-17(8)12-10(14)7-9(13)11(15-2)16-12/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyBSTJLZYPZKKRQG-UHFFFAOYSA-N
XLogP3.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine (CID 102756425) is 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine is CCC1CCCN1c1nc(NC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine?
The InChIKey is BSTJLZYPZKKRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3/c1-3-8-5-4-6-17(8)12-10(14)7-9(13)11(15-2)16-12/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine?
3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine has a molecular weight of 274.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 102756425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).