2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide

C18H20ClN3O2Si — CID 59020763

IUPAC2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide
SMILESCOc1cc(C#C[Si](C)(C)C)cc(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C18H20ClN3O2Si/c1-24-15-10-12(7-8-25(2,3)4)9-14(17(15)20)18(23)22-16-6-5-13(19)11-21-16/h5-6,9-11H,20H2,1-4H3,(H,21,22,23)
InChIKeyYEIDCAJNXJJZSA-UHFFFAOYSA-N
MW373.92 g/mol
LogP3.81
Rot. Bonds3

About 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide

2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide (PubChem CID 59020763) has the molecular formula C18H20ClN3O2Si and a molecular weight of 373.92 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide
PubChem CID59020763
Molecular FormulaC18H20ClN3O2Si
Molecular Weight373.92 g/mol
Exact Mass373.10
IUPAC Name2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide
SMILESCOc1cc(C#C[Si](C)(C)C)cc(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C18H20ClN3O2Si/c1-24-15-10-12(7-8-25(2,3)4)9-14(17(15)20)18(23)22-16-6-5-13(19)11-21-16/h5-6,9-11H,20H2,1-4H3,(H,21,22,23)
InChIKeyYEIDCAJNXJJZSA-UHFFFAOYSA-N
XLogP3.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide
CID 59020997
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
5-chloro-2-[(4-cyanobenzoyl)amino]-3-methoxy-N-[5-(2-trimethylsilylethynyl)-2-pyridinyl]benzamide
CID 142175187
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(5-chloro-2-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 28831584
2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide
CID 153409482
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706
1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone
CID 70149856
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride
CID 174302752

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide?
The IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide (CID 59020763) is 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide is COc1cc(C#C[Si](C)(C)C)cc(C(=O)Nc2ccc(Cl)cn2)c1N.
What is the InChIKey of 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide?
The InChIKey is YEIDCAJNXJJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2Si/c1-24-15-10-12(7-8-25(2,3)4)9-14(17(15)20)18(23)22-16-6-5-13(19)11-21-16/h5-6,9-11H,20H2,1-4H3,(H,21,22,23).
What are the key properties of 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide?
2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide has a molecular weight of 373.92 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-pyridinyl)-3-methoxy-5-(2-trimethylsilylethynyl)benzamide is sourced from PubChem (CID 59020763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).