5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine

C13H20ClN3O — CID 134208918

IUPAC5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine
SMILESCN1CCC(CCOc2ncc(N)cc2Cl)CC1
InChIInChI=1S/C13H20ClN3O/c1-17-5-2-10(3-6-17)4-7-18-13-12(14)8-11(15)9-16-13/h8-10H,2-7,15H2,1H3
InChIKeyUCHZCZRPSBXYKR-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.43
Rot. Bonds4

About 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine

5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine (PubChem CID 134208918) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine
PubChem CID134208918
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine
SMILESCN1CCC(CCOc2ncc(N)cc2Cl)CC1
InChIInChI=1S/C13H20ClN3O/c1-17-5-2-10(3-6-17)4-7-18-13-12(14)8-11(15)9-16-13/h8-10H,2-7,15H2,1H3
InChIKeyUCHZCZRPSBXYKR-UHFFFAOYSA-N
XLogP2.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine?
The IUPAC name of 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine (CID 134208918) is 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine?
The canonical SMILES for 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine is CN1CCC(CCOc2ncc(N)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine?
The InChIKey is UCHZCZRPSBXYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-17-5-2-10(3-6-17)4-7-18-13-12(14)8-11(15)9-16-13/h8-10H,2-7,15H2,1H3.
What are the key properties of 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine?
5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine has a molecular weight of 269.78 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine is sourced from PubChem (CID 134208918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).