2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol

C18H19N5O — CID 66836260

IUPAC2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol
SMILESCc1ccnc(Nc2cccc(-c3ccnc(NCCO)c3)n2)c1
InChIInChI=1S/C18H19N5O/c1-13-5-7-20-18(11-13)23-16-4-2-3-15(22-16)14-6-8-19-17(12-14)21-9-10-24/h2-8,11-12,24H,9-10H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyLZEHBJIXFULLIR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.99
Rot. Bonds6

About 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol

2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol (PubChem CID 66836260) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol
PubChem CID66836260
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol
SMILESCc1ccnc(Nc2cccc(-c3ccnc(NCCO)c3)n2)c1
InChIInChI=1S/C18H19N5O/c1-13-5-7-20-18(11-13)23-16-4-2-3-15(22-16)14-6-8-19-17(12-14)21-9-10-24/h2-8,11-12,24H,9-10H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyLZEHBJIXFULLIR-UHFFFAOYSA-N
XLogP2.99
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol (CID 66836260) is 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol is Cc1ccnc(Nc2cccc(-c3ccnc(NCCO)c3)n2)c1.
What is the InChIKey of 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol?
The InChIKey is LZEHBJIXFULLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-5-7-20-18(11-13)23-16-4-2-3-15(22-16)14-6-8-19-17(12-14)21-9-10-24/h2-8,11-12,24H,9-10H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol?
2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol has a molecular weight of 321.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 66836260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).