(2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile

C19H31N3O2Si — CID 67208347

IUPAC(2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile
SMILESCC[C@H]1O[C@@H](c2ccncc2N)C[C@@H](CC(C)(C)[Si](C)(C)O)[C@H]1C#N
InChIInChI=1S/C19H31N3O2Si/c1-6-17-15(11-20)13(10-19(2,3)25(4,5)23)9-18(24-17)14-7-8-22-12-16(14)21/h7-8,12-13,15,17-18,23H,6,9-10,21H2,1-5H3/t13-,15+,17+,18+/m0/s1
InChIKeyCBKUBDWECHGWQO-PAYONLEZSA-N
MW361.56 g/mol
LogP4.03
Rot. Bonds5

About (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile

(2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile (PubChem CID 67208347) has the molecular formula C19H31N3O2Si and a molecular weight of 361.56 g/mol. Its IUPAC name is (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile.

Molecular Properties

Compound Name(2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile
PubChem CID67208347
Molecular FormulaC19H31N3O2Si
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name(2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile
SMILESCC[C@H]1O[C@@H](c2ccncc2N)C[C@@H](CC(C)(C)[Si](C)(C)O)[C@H]1C#N
InChIInChI=1S/C19H31N3O2Si/c1-6-17-15(11-20)13(10-19(2,3)25(4,5)23)9-18(24-17)14-7-8-22-12-16(14)21/h7-8,12-13,15,17-18,23H,6,9-10,21H2,1-5H3/t13-,15+,17+,18+/m0/s1
InChIKeyCBKUBDWECHGWQO-PAYONLEZSA-N
XLogP4.03
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile?
The IUPAC name of (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile (CID 67208347) is (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile.
What is the SMILES notation for (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile?
The canonical SMILES for (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile is CC[C@H]1O[C@@H](c2ccncc2N)C[C@@H](CC(C)(C)[Si](C)(C)O)[C@H]1C#N.
What is the InChIKey of (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile?
The InChIKey is CBKUBDWECHGWQO-PAYONLEZSA-N. The full InChI is InChI=1S/C19H31N3O2Si/c1-6-17-15(11-20)13(10-19(2,3)25(4,5)23)9-18(24-17)14-7-8-22-12-16(14)21/h7-8,12-13,15,17-18,23H,6,9-10,21H2,1-5H3/t13-,15+,17+,18+/m0/s1.
What are the key properties of (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile?
(2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile has a molecular weight of 361.56 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile is sourced from PubChem (CID 67208347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).