4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one

C18H32N4O2SSi — CID 136601123

IUPAC4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one
SMILES[H]/N=C/c1c(N)cc(=O)n(CCCCC(C)(C)[Si](C)(C)O)c1NC(=C)SC
InChIInChI=1S/C18H32N4O2SSi/c1-13(25-4)21-17-14(12-19)15(20)11-16(23)22(17)10-8-7-9-18(2,3)26(5,6)24/h11-12,19,21,24H,1,7-10,20H2,2-6H3/b19-12+
InChIKeyBJBYGFHSLXIBKY-XDHOZWIPSA-N
MW396.63 g/mol
LogP3.82
Rot. Bonds10

About 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one

4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one (PubChem CID 136601123) has the molecular formula C18H32N4O2SSi and a molecular weight of 396.63 g/mol. Its IUPAC name is 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one
PubChem CID136601123
Molecular FormulaC18H32N4O2SSi
Molecular Weight396.63 g/mol
Exact Mass396.20
IUPAC Name4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one
SMILES[H]/N=C/c1c(N)cc(=O)n(CCCCC(C)(C)[Si](C)(C)O)c1NC(=C)SC
InChIInChI=1S/C18H32N4O2SSi/c1-13(25-4)21-17-14(12-19)15(20)11-16(23)22(17)10-8-7-9-18(2,3)26(5,6)24/h11-12,19,21,24H,1,7-10,20H2,2-6H3/b19-12+
InChIKeyBJBYGFHSLXIBKY-XDHOZWIPSA-N
XLogP3.82
TPSA104.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.63
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one?
The IUPAC name of 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one (CID 136601123) is 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one.
What is the SMILES notation for 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one?
The canonical SMILES for 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one is [H]/N=C/c1c(N)cc(=O)n(CCCCC(C)(C)[Si](C)(C)O)c1NC(=C)SC.
What is the InChIKey of 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one?
The InChIKey is BJBYGFHSLXIBKY-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H32N4O2SSi/c1-13(25-4)21-17-14(12-19)15(20)11-16(23)22(17)10-8-7-9-18(2,3)26(5,6)24/h11-12,19,21,24H,1,7-10,20H2,2-6H3/b19-12+.
What are the key properties of 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one?
4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one has a molecular weight of 396.63 g/mol, XLogP of 3.82, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]-5-methanimidoyl-6-(1-methylsulfanylethenylamino)pyridin-2-one is sourced from PubChem (CID 136601123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).