6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide

C21H22N2O2Sn — CID 59501986

IUPAC6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide
SMILESC[Sn](C)(C)c1ccc(Oc2ccc(-c3cccc(C(N)=O)n3)cc2)cc1
InChIInChI=1S/C18H13N2O2.3CH3.Sn/c19-18(21)17-8-4-7-16(20-17)13-9-11-15(12-10-13)22-14-5-2-1-3-6-14;;;;/h2-12H,(H2,19,21);3*1H3;
InChIKeyGKDUPJYVKZKPAE-UHFFFAOYSA-N
MW453.13 g/mol
LogP4.18
Rot. Bonds5

About 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide

6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 59501986) has the molecular formula C21H22N2O2Sn and a molecular weight of 453.13 g/mol. Its IUPAC name is 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide
PubChem CID59501986
Molecular FormulaC21H22N2O2Sn
Molecular Weight453.13 g/mol
Exact Mass454.07
IUPAC Name6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide
SMILESC[Sn](C)(C)c1ccc(Oc2ccc(-c3cccc(C(N)=O)n3)cc2)cc1
InChIInChI=1S/C18H13N2O2.3CH3.Sn/c19-18(21)17-8-4-7-16(20-17)13-9-11-15(12-10-13)22-14-5-2-1-3-6-14;;;;/h2-12H,(H2,19,21);3*1H3;
InChIKeyGKDUPJYVKZKPAE-UHFFFAOYSA-N
XLogP4.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.13
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide 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 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide (CID 59501986) is 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide is C[Sn](C)(C)c1ccc(Oc2ccc(-c3cccc(C(N)=O)n3)cc2)cc1.
What is the InChIKey of 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is GKDUPJYVKZKPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N2O2.3CH3.Sn/c19-18(21)17-8-4-7-16(20-17)13-9-11-15(12-10-13)22-14-5-2-1-3-6-14;;;;/h2-12H,(H2,19,21);3*1H3;.
What are the key properties of 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide?
6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 453.13 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 59501986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).