3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine

C18H18N4O2 — CID 11381681

IUPAC3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine
SMILESCCOc1cc(Oc2cccnc2)cnc1Nc1cccc(C)n1
InChIInChI=1S/C18H18N4O2/c1-3-23-16-10-15(24-14-7-5-9-19-11-14)12-20-18(16)22-17-8-4-6-13(2)21-17/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyTVMWJBZCHSROEX-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.11
Rot. Bonds6

About 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine

3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine (PubChem CID 11381681) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine
PubChem CID11381681
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine
SMILESCCOc1cc(Oc2cccnc2)cnc1Nc1cccc(C)n1
InChIInChI=1S/C18H18N4O2/c1-3-23-16-10-15(24-14-7-5-9-19-11-14)12-20-18(16)22-17-8-4-6-13(2)21-17/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyTVMWJBZCHSROEX-UHFFFAOYSA-N
XLogP4.11
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine?
The IUPAC name of 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine (CID 11381681) is 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine.
What is the SMILES notation for 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine?
The canonical SMILES for 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine is CCOc1cc(Oc2cccnc2)cnc1Nc1cccc(C)n1.
What is the InChIKey of 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine?
The InChIKey is TVMWJBZCHSROEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-23-16-10-15(24-14-7-5-9-19-11-14)12-20-18(16)22-17-8-4-6-13(2)21-17/h4-12H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine?
3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine has a molecular weight of 322.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-pyridin-3-yloxypyridin-2-amine is sourced from PubChem (CID 11381681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).