5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine

C15H19N3O2 — CID 104532247

IUPAC5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine
SMILESCCOc1ccc(Nc2cncc(N)c2)cc1OCC
InChIInChI=1S/C15H19N3O2/c1-3-19-14-6-5-12(8-15(14)20-4-2)18-13-7-11(16)9-17-10-13/h5-10,18H,3-4,16H2,1-2H3
InChIKeyPOVUJCGWYKAQLT-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.20
Rot. Bonds6

About 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine

5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine (PubChem CID 104532247) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine
PubChem CID104532247
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine
SMILESCCOc1ccc(Nc2cncc(N)c2)cc1OCC
InChIInChI=1S/C15H19N3O2/c1-3-19-14-6-5-12(8-15(14)20-4-2)18-13-7-11(16)9-17-10-13/h5-10,18H,3-4,16H2,1-2H3
InChIKeyPOVUJCGWYKAQLT-UHFFFAOYSA-N
XLogP3.20
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694
4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 80769404
5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535772
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696
5-bromo-N-(3,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 64624289
N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine
CID 115416312
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
5-N-ethylpyridine-3,5-diamine
CID 104532571
5-(3,4-diethoxyanilino)-2H-1,2,4-triazin-3-one
CID 20995208

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine (CID 104532247) is 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine is CCOc1ccc(Nc2cncc(N)c2)cc1OCC.
What is the InChIKey of 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine?
The InChIKey is POVUJCGWYKAQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-19-14-6-5-12(8-15(14)20-4-2)18-13-7-11(16)9-17-10-13/h5-10,18H,3-4,16H2,1-2H3.
What are the key properties of 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine?
5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine has a molecular weight of 273.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine is sourced from PubChem (CID 104532247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).