5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine

C17H14Cl2N4O — CID 21110956

IUPAC5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(OCc3c(Cl)cccc3Cl)c2)cn1
InChIInChI=1S/C17H14Cl2N4O/c18-13-2-1-3-14(19)12(13)9-24-15-6-11(8-23-17(15)21)10-4-5-16(20)22-7-10/h1-8H,9H2,(H2,20,22)(H2,21,23)
InChIKeyVMYWWNULDCJHOE-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.19
Rot. Bonds4

About 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine

5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine (PubChem CID 21110956) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
PubChem CID21110956
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
SMILESNc1ccc(-c2cnc(N)c(OCc3c(Cl)cccc3Cl)c2)cn1
InChIInChI=1S/C17H14Cl2N4O/c18-13-2-1-3-14(19)12(13)9-24-15-6-11(8-23-17(15)21)10-4-5-16(20)22-7-10/h1-8H,9H2,(H2,20,22)(H2,21,23)
InChIKeyVMYWWNULDCJHOE-UHFFFAOYSA-N
XLogP4.19
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Analyze 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]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-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine?
The IUPAC name of 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine (CID 21110956) is 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine is Nc1ccc(-c2cnc(N)c(OCc3c(Cl)cccc3Cl)c2)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine?
The InChIKey is VMYWWNULDCJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-13-2-1-3-14(19)12(13)9-24-15-6-11(8-23-17(15)21)10-4-5-16(20)22-7-10/h1-8H,9H2,(H2,20,22)(H2,21,23).
What are the key properties of 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine?
5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine has a molecular weight of 361.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 21110956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).