6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H35FN4O4Si — CID 131734776

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1CO[Si](C)(C)C(C)(C)C)CCCN2C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C24H35FN4O4Si/c1-24(2,3)34(6,7)33-15-17-13-16-9-8-12-29(21(16)28-20(17)22(31-4)32-5)23(30)27-19-11-10-18(25)14-26-19/h10-11,13-14,22H,8-9,12,15H2,1-7H3,(H,26,27,30)
InChIKeyIEFOPKOTVULRRC-UHFFFAOYSA-N
MW490.65 g/mol
LogP5.41
Rot. Bonds7

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 131734776) has the molecular formula C24H35FN4O4Si and a molecular weight of 490.65 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID131734776
Molecular FormulaC24H35FN4O4Si
Molecular Weight490.65 g/mol
Exact Mass490.24
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1CO[Si](C)(C)C(C)(C)C)CCCN2C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C24H35FN4O4Si/c1-24(2,3)34(6,7)33-15-17-13-16-9-8-12-29(21(16)28-20(17)22(31-4)32-5)23(30)27-19-11-10-18(25)14-26-19/h10-11,13-14,22H,8-9,12,15H2,1-7H3,(H,26,27,30)
InChIKeyIEFOPKOTVULRRC-UHFFFAOYSA-N
XLogP5.41
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 131734776) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1nc2c(cc1CO[Si](C)(C)C(C)(C)C)CCCN2C(=O)Nc1ccc(F)cn1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is IEFOPKOTVULRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O4Si/c1-24(2,3)34(6,7)33-15-17-13-16-9-8-12-29(21(16)28-20(17)22(31-4)32-5)23(30)27-19-11-10-18(25)14-26-19/h10-11,13-14,22H,8-9,12,15H2,1-7H3,(H,26,27,30).
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 131734776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).