2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine

C11H17N3O — CID 103530467

IUPAC2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine
SMILESCOC1CCN(c2cc(N)c(C)cn2)C1
InChIInChI=1S/C11H17N3O/c1-8-6-13-11(5-10(8)12)14-4-3-9(7-14)15-2/h5-6,9H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyDNFMBHKIOMIPMG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.20
Rot. Bonds2

About 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine

2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine (PubChem CID 103530467) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine
PubChem CID103530467
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine
SMILESCOC1CCN(c2cc(N)c(C)cn2)C1
InChIInChI=1S/C11H17N3O/c1-8-6-13-11(5-10(8)12)14-4-3-9(7-14)15-2/h5-6,9H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyDNFMBHKIOMIPMG-UHFFFAOYSA-N
XLogP1.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine (CID 103530467) is 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine is COC1CCN(c2cc(N)c(C)cn2)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine?
The InChIKey is DNFMBHKIOMIPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-6-13-11(5-10(8)12)14-4-3-9(7-14)15-2/h5-6,9H,3-4,7H2,1-2H3,(H2,12,13).
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine?
2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine is sourced from PubChem (CID 103530467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).