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

C18H22N4O2Si — CID 167522120

IUPAC2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
SMILESCOCCOc1ncc2cncc(C(N)C#N)c2c1C#C[Si](C)(C)C
InChIInChI=1S/C18H22N4O2Si/c1-23-6-7-24-18-14(5-8-25(2,3)4)17-13(11-22-18)10-21-12-15(17)16(20)9-19/h10-12,16H,6-7,20H2,1-4H3
InChIKeyUHBDRMZJPRYTDW-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.41
Rot. Bonds5

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

2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile (PubChem CID 167522120) has the molecular formula C18H22N4O2Si and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
PubChem CID167522120
Molecular FormulaC18H22N4O2Si
Molecular Weight354.49 g/mol
Exact Mass354.15
IUPAC Name2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
SMILESCOCCOc1ncc2cncc(C(N)C#N)c2c1C#C[Si](C)(C)C
InChIInChI=1S/C18H22N4O2Si/c1-23-6-7-24-18-14(5-8-25(2,3)4)17-13(11-22-18)10-21-12-15(17)16(20)9-19/h10-12,16H,6-7,20H2,1-4H3
InChIKeyUHBDRMZJPRYTDW-UHFFFAOYSA-N
XLogP2.41
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[Amino(cyano)methyl]-3-methoxy-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite
CID 167521919
2-[5-[Amino(cyano)methyl]-3-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite;ethane
CID 167522264
Ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine
CID 167522777
Ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine
CID 167523242
2-Amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
CID 167523321
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-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide
CID 167522068
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
4-Ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine
CID 167522778
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-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile?
The IUPAC name of 2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile (CID 167522120) is 2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile?
The canonical SMILES for 2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile is COCCOc1ncc2cncc(C(N)C#N)c2c1C#C[Si](C)(C)C.
What is the InChIKey of 2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile?
The InChIKey is UHBDRMZJPRYTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2Si/c1-23-6-7-24-18-14(5-8-25(2,3)4)17-13(11-22-18)10-21-12-15(17)16(20)9-19/h10-12,16H,6-7,20H2,1-4H3.
What are the key properties of 2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile?
2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile has a molecular weight of 354.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile is sourced from PubChem (CID 167522120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).