2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol

C22H26N4O — CID 90656637

IUPAC2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol
SMILESCc1cc(N)nc(CCc2cccc(C(O)Cc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C22H26N4O/c1-14-8-18(25-21(23)10-14)7-6-16-4-3-5-17(12-16)20(27)13-19-9-15(2)11-22(24)26-19/h3-5,8-12,20,27H,6-7,13H2,1-2H3,(H2,23,25)(H2,24,26)
InChIKeyUYRPOLYEPACPCW-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.32
Rot. Bonds6

About 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol

2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol (PubChem CID 90656637) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol
PubChem CID90656637
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol
SMILESCc1cc(N)nc(CCc2cccc(C(O)Cc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C22H26N4O/c1-14-8-18(25-21(23)10-14)7-6-16-4-3-5-17(12-16)20(27)13-19-9-15(2)11-22(24)26-19/h3-5,8-12,20,27H,6-7,13H2,1-2H3,(H2,23,25)(H2,24,26)
InChIKeyUYRPOLYEPACPCW-UHFFFAOYSA-N
XLogP3.32
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol?
The IUPAC name of 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol (CID 90656637) is 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol.
What is the SMILES notation for 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol?
The canonical SMILES for 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol is Cc1cc(N)nc(CCc2cccc(C(O)Cc3cc(C)cc(N)n3)c2)c1.
What is the InChIKey of 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol?
The InChIKey is UYRPOLYEPACPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-14-8-18(25-21(23)10-14)7-6-16-4-3-5-17(12-16)20(27)13-19-9-15(2)11-22(24)26-19/h3-5,8-12,20,27H,6-7,13H2,1-2H3,(H2,23,25)(H2,24,26).
What are the key properties of 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol?
2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol has a molecular weight of 362.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-methyl-2-pyridinyl)-1-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethanol is sourced from PubChem (CID 90656637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).