5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine

C12H20N4 — CID 66279959

IUPAC5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
SMILESCc1cnc(NC2CCCN(C)C2)c(N)c1
InChIInChI=1S/C12H20N4/c1-9-6-11(13)12(14-7-9)15-10-4-3-5-16(2)8-10/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15)
InChIKeyLZLQWOFXIYURKZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.48
Rot. Bonds2

About 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine

5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine (PubChem CID 66279959) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
PubChem CID66279959
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
SMILESCc1cnc(NC2CCCN(C)C2)c(N)c1
InChIInChI=1S/C12H20N4/c1-9-6-11(13)12(14-7-9)15-10-4-3-5-16(2)8-10/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15)
InChIKeyLZLQWOFXIYURKZ-UHFFFAOYSA-N
XLogP1.48
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine (CID 66279959) is 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine is Cc1cnc(NC2CCCN(C)C2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine?
The InChIKey is LZLQWOFXIYURKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-6-11(13)12(14-7-9)15-10-4-3-5-16(2)8-10/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine?
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine is sourced from PubChem (CID 66279959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).