5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine

C13H20ClN3 — CID 63218355

IUPAC5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CN2CCCC2(C)C)n1
InChIInChI=1S/C13H20ClN3/c1-13(2)7-4-8-17(13)9-11-10(14)5-6-12(15-3)16-11/h5-6H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyHAWXOEXUHNOZPU-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.15
Rot. Bonds3

About 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine

5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 63218355) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine
PubChem CID63218355
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CN2CCCC2(C)C)n1
InChIInChI=1S/C13H20ClN3/c1-13(2)7-4-8-17(13)9-11-10(14)5-6-12(15-3)16-11/h5-6H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyHAWXOEXUHNOZPU-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine (CID 63218355) is 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine is CNc1ccc(Cl)c(CN2CCCC2(C)C)n1.
What is the InChIKey of 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is HAWXOEXUHNOZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-13(2)7-4-8-17(13)9-11-10(14)5-6-12(15-3)16-11/h5-6H,4,7-9H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine?
5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 63218355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).