6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine

C15H23N3O3 — CID 134305144

IUPAC6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CN2CCC(OC)C2)c(C2OCCO2)n1
InChIInChI=1S/C15H23N3O3/c1-16-13-4-3-11(9-18-6-5-12(10-18)19-2)14(17-13)15-20-7-8-21-15/h3-4,12,15H,5-10H2,1-2H3,(H,16,17)
InChIKeyUIBHPWDBZUPJSK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.39
Rot. Bonds5

About 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine

6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 134305144) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine
PubChem CID134305144
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CN2CCC(OC)C2)c(C2OCCO2)n1
InChIInChI=1S/C15H23N3O3/c1-16-13-4-3-11(9-18-6-5-12(10-18)19-2)14(17-13)15-20-7-8-21-15/h3-4,12,15H,5-10H2,1-2H3,(H,16,17)
InChIKeyUIBHPWDBZUPJSK-UHFFFAOYSA-N
XLogP1.39
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine (CID 134305144) is 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine is CNc1ccc(CN2CCC(OC)C2)c(C2OCCO2)n1.
What is the InChIKey of 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is UIBHPWDBZUPJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-16-13-4-3-11(9-18-6-5-12(10-18)19-2)14(17-13)15-20-7-8-21-15/h3-4,12,15H,5-10H2,1-2H3,(H,16,17).
What are the key properties of 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine?
6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 134305144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).