3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine

C11H15ClN2O — CID 79841393

IUPAC3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine
SMILESCOC1CCCC1Nc1ccncc1Cl
InChIInChI=1S/C11H15ClN2O/c1-15-11-4-2-3-10(11)14-9-5-6-13-7-8(9)12/h5-7,10-11H,2-4H2,1H3,(H,13,14)
InChIKeyUPBCDRTUZDHDIE-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.71
Rot. Bonds3

About 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine

3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine (PubChem CID 79841393) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine
PubChem CID79841393
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine
SMILESCOC1CCCC1Nc1ccncc1Cl
InChIInChI=1S/C11H15ClN2O/c1-15-11-4-2-3-10(11)14-9-5-6-13-7-8(9)12/h5-7,10-11H,2-4H2,1H3,(H,13,14)
InChIKeyUPBCDRTUZDHDIE-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine (CID 79841393) is 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine is COC1CCCC1Nc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine?
The InChIKey is UPBCDRTUZDHDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-11-4-2-3-10(11)14-9-5-6-13-7-8(9)12/h5-7,10-11H,2-4H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine?
3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine is sourced from PubChem (CID 79841393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).