N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide

C22H26N4OSSi — CID 25184385

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
SMILESC[Si]1(C)CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn2)CC1
InChIInChI=1S/C22H26N4OSSi/c1-29(2)12-9-26(10-13-29)21-8-6-17(15-24-21)22(27)25-19-14-16(5-7-18(19)23)20-4-3-11-28-20/h3-8,11,14-15H,9-10,12-13,23H2,1-2H3,(H,25,27)
InChIKeyQGRBXFBMKUQEAQ-UHFFFAOYSA-N
MW422.63 g/mol
LogP5.17
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide (PubChem CID 25184385) has the molecular formula C22H26N4OSSi and a molecular weight of 422.63 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
PubChem CID25184385
Molecular FormulaC22H26N4OSSi
Molecular Weight422.63 g/mol
Exact Mass422.16
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
SMILESC[Si]1(C)CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn2)CC1
InChIInChI=1S/C22H26N4OSSi/c1-29(2)12-9-26(10-13-29)21-8-6-17(15-24-21)22(27)25-19-14-16(5-7-18(19)23)20-4-3-11-28-20/h3-8,11,14-15H,9-10,12-13,23H2,1-2H3,(H,25,27)
InChIKeyQGRBXFBMKUQEAQ-UHFFFAOYSA-N
XLogP5.17
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.63
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide (CID 25184385) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide is C[Si]1(C)CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn2)CC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide?
The InChIKey is QGRBXFBMKUQEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OSSi/c1-29(2)12-9-26(10-13-29)21-8-6-17(15-24-21)22(27)25-19-14-16(5-7-18(19)23)20-4-3-11-28-20/h3-8,11,14-15H,9-10,12-13,23H2,1-2H3,(H,25,27).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide has a molecular weight of 422.63 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 25184385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).