5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine

C15H20N4O — CID 71914444

IUPAC5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(NCc2cccnc2)nc1
InChIInChI=1S/C15H20N4O/c1-19(8-9-20-2)14-5-6-15(18-12-14)17-11-13-4-3-7-16-10-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,17,18)
InChIKeyBQPYCKYUQDRJRA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.17
Rot. Bonds7

About 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine

5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 71914444) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
PubChem CID71914444
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(NCc2cccnc2)nc1
InChIInChI=1S/C15H20N4O/c1-19(8-9-20-2)14-5-6-15(18-12-14)17-11-13-4-3-7-16-10-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,17,18)
InChIKeyBQPYCKYUQDRJRA-UHFFFAOYSA-N
XLogP2.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine (CID 71914444) is 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine is COCCN(C)c1ccc(NCc2cccnc2)nc1.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is BQPYCKYUQDRJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19(8-9-20-2)14-5-6-15(18-12-14)17-11-13-4-3-7-16-10-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 71914444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).