N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine

C15H23N3O — CID 112568481

IUPACN-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCCOC1CC(Nc2cccnc2N2CCCC2)C1
InChIInChI=1S/C15H23N3O/c1-2-19-13-10-12(11-13)17-14-6-5-7-16-15(14)18-8-3-4-9-18/h5-7,12-13,17H,2-4,8-11H2,1H3
InChIKeyRXDQJUWNGJCSKN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.66
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine

N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 112568481) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID112568481
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCCOC1CC(Nc2cccnc2N2CCCC2)C1
InChIInChI=1S/C15H23N3O/c1-2-19-13-10-12(11-13)17-14-6-5-7-16-15(14)18-8-3-4-9-18/h5-7,12-13,17H,2-4,8-11H2,1H3
InChIKeyRXDQJUWNGJCSKN-UHFFFAOYSA-N
XLogP2.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine (CID 112568481) is N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine is CCOC1CC(Nc2cccnc2N2CCCC2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is RXDQJUWNGJCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-19-13-10-12(11-13)17-14-6-5-7-16-15(14)18-8-3-4-9-18/h5-7,12-13,17H,2-4,8-11H2,1H3.
What are the key properties of N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine?
N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 261.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 112568481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).