2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol

C19H28N4O2 — CID 123206717

IUPAC2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol
SMILESCCNc1nc(CCc2cc(N(C)C)nc(C)c2O)c(O)c(C)c1C
InChIInChI=1S/C19H28N4O2/c1-7-20-19-12(3)11(2)17(24)15(22-19)9-8-14-10-16(23(5)6)21-13(4)18(14)25/h10,24-25H,7-9H2,1-6H3,(H,20,22)
InChIKeyHXYZBCIQEZMNBJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.10
Rot. Bonds6

About 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol

2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol (PubChem CID 123206717) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol.

Molecular Properties

Compound Name2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol
PubChem CID123206717
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol
SMILESCCNc1nc(CCc2cc(N(C)C)nc(C)c2O)c(O)c(C)c1C
InChIInChI=1S/C19H28N4O2/c1-7-20-19-12(3)11(2)17(24)15(22-19)9-8-14-10-16(23(5)6)21-13(4)18(14)25/h10,24-25H,7-9H2,1-6H3,(H,20,22)
InChIKeyHXYZBCIQEZMNBJ-UHFFFAOYSA-N
XLogP3.10
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol?
The IUPAC name of 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol (CID 123206717) is 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol.
What is the SMILES notation for 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol?
The canonical SMILES for 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol is CCNc1nc(CCc2cc(N(C)C)nc(C)c2O)c(O)c(C)c1C.
What is the InChIKey of 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol?
The InChIKey is HXYZBCIQEZMNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-7-20-19-12(3)11(2)17(24)15(22-19)9-8-14-10-16(23(5)6)21-13(4)18(14)25/h10,24-25H,7-9H2,1-6H3,(H,20,22).
What are the key properties of 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol?
2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol has a molecular weight of 344.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(dimethylamino)-3-hydroxy-2-methyl-4-pyridinyl]ethyl]-6-(ethylamino)-4,5-dimethylpyridin-3-ol is sourced from PubChem (CID 123206717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).