6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine

C13H22N4O — CID 115320544

IUPAC6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC(C)CN2CCCC2)n1
InChIInChI=1S/C13H22N4O/c1-10(9-17-7-3-4-8-17)15-13-11(14)5-6-12(16-13)18-2/h5-6,10H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyNIPKXLIOPIIFGZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.57
Rot. Bonds5

About 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine

6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine (PubChem CID 115320544) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine
PubChem CID115320544
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC(C)CN2CCCC2)n1
InChIInChI=1S/C13H22N4O/c1-10(9-17-7-3-4-8-17)15-13-11(14)5-6-12(16-13)18-2/h5-6,10H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyNIPKXLIOPIIFGZ-UHFFFAOYSA-N
XLogP1.57
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine (CID 115320544) is 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine is COc1ccc(N)c(NC(C)CN2CCCC2)n1.
What is the InChIKey of 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine?
The InChIKey is NIPKXLIOPIIFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(9-17-7-3-4-8-17)15-13-11(14)5-6-12(16-13)18-2/h5-6,10H,3-4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine?
6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 115320544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).