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

C13H14ClN3O — CID 11448439

IUPAC5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(Cl)cnc1Nc1cccc(C)n1
InChIInChI=1S/C13H14ClN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyLKLWWZVGQOVNOG-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.58
Rot. Bonds4

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

5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 11448439) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID11448439
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(Cl)cnc1Nc1cccc(C)n1
InChIInChI=1S/C13H14ClN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyLKLWWZVGQOVNOG-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine (CID 11448439) is 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine is CCOc1cc(Cl)cnc1Nc1cccc(C)n1.
What is the InChIKey of 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is LKLWWZVGQOVNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 11448439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).