3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine

C15H19N3O3 — CID 62477219

IUPAC3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(Nc2ncc(N)cc2C)cc(OC)c1OC
InChIInChI=1S/C15H19N3O3/c1-9-5-10(16)8-17-15(9)18-11-6-12(19-2)14(21-4)13(7-11)20-3/h5-8H,16H2,1-4H3,(H,17,18)
InChIKeyYIGZOAFERLTDHO-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.74
Rot. Bonds5

About 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine

3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine (PubChem CID 62477219) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
PubChem CID62477219
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(Nc2ncc(N)cc2C)cc(OC)c1OC
InChIInChI=1S/C15H19N3O3/c1-9-5-10(16)8-17-15(9)18-11-6-12(19-2)14(21-4)13(7-11)20-3/h5-8H,16H2,1-4H3,(H,17,18)
InChIKeyYIGZOAFERLTDHO-UHFFFAOYSA-N
XLogP2.74
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine (CID 62477219) is 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine is COc1cc(Nc2ncc(N)cc2C)cc(OC)c1OC.
What is the InChIKey of 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine?
The InChIKey is YIGZOAFERLTDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-5-10(16)8-17-15(9)18-11-6-12(19-2)14(21-4)13(7-11)20-3/h5-8H,16H2,1-4H3,(H,17,18).
What are the key properties of 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine?
3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine has a molecular weight of 289.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 62477219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).