6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine

C15H20N4O — CID 60913529

IUPAC6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine
SMILESCCOc1nc(N(C)CCc2ccncc2)ccc1N
InChIInChI=1S/C15H20N4O/c1-3-20-15-13(16)4-5-14(18-15)19(2)11-8-12-6-9-17-10-7-12/h4-7,9-10H,3,8,11,16H2,1-2H3
InChIKeyRQHBOLPSOGXSAF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds6

About 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine

6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine (PubChem CID 60913529) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine
PubChem CID60913529
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine
SMILESCCOc1nc(N(C)CCc2ccncc2)ccc1N
InChIInChI=1S/C15H20N4O/c1-3-20-15-13(16)4-5-14(18-15)19(2)11-8-12-6-9-17-10-7-12/h4-7,9-10H,3,8,11,16H2,1-2H3
InChIKeyRQHBOLPSOGXSAF-UHFFFAOYSA-N
XLogP2.14
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine (CID 60913529) is 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine is CCOc1nc(N(C)CCc2ccncc2)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine?
The InChIKey is RQHBOLPSOGXSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-20-15-13(16)4-5-14(18-15)19(2)11-8-12-6-9-17-10-7-12/h4-7,9-10H,3,8,11,16H2,1-2H3.
What are the key properties of 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine?
6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 60913529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).