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

C20H21N3O — CID 86036475

IUPAC3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(-c2ccccc2C)cnc1Nc1cccc(C)n1
InChIInChI=1S/C20H21N3O/c1-4-24-18-12-16(17-10-6-5-8-14(17)2)13-21-20(18)23-19-11-7-9-15(3)22-19/h5-13H,4H2,1-3H3,(H,21,22,23)
InChIKeyYTIXFTKLFAZVKO-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.90
Rot. Bonds5

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

3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 86036475) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID86036475
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(-c2ccccc2C)cnc1Nc1cccc(C)n1
InChIInChI=1S/C20H21N3O/c1-4-24-18-12-16(17-10-6-5-8-14(17)2)13-21-20(18)23-19-11-7-9-15(3)22-19/h5-13H,4H2,1-3H3,(H,21,22,23)
InChIKeyYTIXFTKLFAZVKO-UHFFFAOYSA-N
XLogP4.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine (CID 86036475) is 3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine is CCOc1cc(-c2ccccc2C)cnc1Nc1cccc(C)n1.
What is the InChIKey of 3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is YTIXFTKLFAZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-4-24-18-12-16(17-10-6-5-8-14(17)2)13-21-20(18)23-19-11-7-9-15(3)22-19/h5-13H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 319.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(2-methylphenyl)-N-(6-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 86036475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).