4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine

C27H26N8O — CID 154975679

IUPAC4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine
SMILESCCc1nc(-c2ccccn2)c(Oc2ccnc(Nc3cccc(CCc4nn[nH]n4)c3)c2)cc1C
InChIInChI=1S/C27H26N8O/c1-3-22-18(2)15-24(27(31-22)23-9-4-5-13-28-23)36-21-12-14-29-26(17-21)30-20-8-6-7-19(16-20)10-11-25-32-34-35-33-25/h4-9,12-17H,3,10-11H2,1-2H3,(H,29,30)(H,32,33,34,35)
InChIKeyQUBABHDRHJGNLA-UHFFFAOYSA-N
MW478.56 g/mol
LogP5.24
Rot. Bonds9

About 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine

4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine (PubChem CID 154975679) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine
PubChem CID154975679
Molecular FormulaC27H26N8O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC Name4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine
SMILESCCc1nc(-c2ccccn2)c(Oc2ccnc(Nc3cccc(CCc4nn[nH]n4)c3)c2)cc1C
InChIInChI=1S/C27H26N8O/c1-3-22-18(2)15-24(27(31-22)23-9-4-5-13-28-23)36-21-12-14-29-26(17-21)30-20-8-6-7-19(16-20)10-11-25-32-34-35-33-25/h4-9,12-17H,3,10-11H2,1-2H3,(H,29,30)(H,32,33,34,35)
InChIKeyQUBABHDRHJGNLA-UHFFFAOYSA-N
XLogP5.24
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine (CID 154975679) is 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine is CCc1nc(-c2ccccn2)c(Oc2ccnc(Nc3cccc(CCc4nn[nH]n4)c3)c2)cc1C.
What is the InChIKey of 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine?
The InChIKey is QUBABHDRHJGNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-3-22-18(2)15-24(27(31-22)23-9-4-5-13-28-23)36-21-12-14-29-26(17-21)30-20-8-6-7-19(16-20)10-11-25-32-34-35-33-25/h4-9,12-17H,3,10-11H2,1-2H3,(H,29,30)(H,32,33,34,35).
What are the key properties of 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine?
4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine has a molecular weight of 478.56 g/mol, XLogP of 5.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 154975679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).