2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile

C16H18N4OSi — CID 167523321

IUPAC2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
SMILESCOc1ncc2cncc(C(N)C#N)c2c1C#C[Si](C)(C)C
InChIInChI=1S/C16H18N4OSi/c1-21-16-12(5-6-22(2,3)4)15-11(9-20-16)8-19-10-13(15)14(18)7-17/h8-10,14H,18H2,1-4H3
InChIKeyYJDTYBJRTCXFRL-UHFFFAOYSA-N
MW310.43 g/mol
LogP2.39
Rot. Bonds2

About 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile

2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile (PubChem CID 167523321) has the molecular formula C16H18N4OSi and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
PubChem CID167523321
Molecular FormulaC16H18N4OSi
Molecular Weight310.43 g/mol
Exact Mass310.12
IUPAC Name2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
SMILESCOc1ncc2cncc(C(N)C#N)c2c1C#C[Si](C)(C)C
InChIInChI=1S/C16H18N4OSi/c1-21-16-12(5-6-22(2,3)4)15-11(9-20-16)8-19-10-13(15)14(18)7-17/h8-10,14H,18H2,1-4H3
InChIKeyYJDTYBJRTCXFRL-UHFFFAOYSA-N
XLogP2.39
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
CID 167521508
2-[5-[Amino(cyano)methyl]-3-methoxy-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite
CID 167521919
2-Amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
CID 167522120
2-[5-[Amino(cyano)methyl]-3-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite;ethane
CID 167522264
4-Ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
CID 167521509
N-[cyano-[5-ethynyl-6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]acetamide
CID 167521836
N-[cyano-[5-ethynyl-6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide
CID 167522057
N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide
CID 167522176
2-[5-[Amino(cyano)methyl]-3-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite
CID 167522265
2-[5-[Cyano(formamido)methyl]-3-methoxy-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite
CID 167523010

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile?
The IUPAC name of 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile (CID 167523321) is 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile?
The canonical SMILES for 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile is COc1ncc2cncc(C(N)C#N)c2c1C#C[Si](C)(C)C.
What is the InChIKey of 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile?
The InChIKey is YJDTYBJRTCXFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OSi/c1-21-16-12(5-6-22(2,3)4)15-11(9-20-16)8-19-10-13(15)14(18)7-17/h8-10,14H,18H2,1-4H3.
What are the key properties of 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile?
2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile has a molecular weight of 310.43 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile is sourced from PubChem (CID 167523321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).