(5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide

C21H27F2N3O2Si — CID 140897396

IUPAC(5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
SMILESCC[Si](C)(C)c1c(F)cc(NC(=O)[C@@H]2NCCc3nc(COC)ccc32)cc1F
InChIInChI=1S/C21H27F2N3O2Si/c1-5-29(3,4)20-16(22)10-14(11-17(20)23)26-21(27)19-15-7-6-13(12-28-2)25-18(15)8-9-24-19/h6-7,10-11,19,24H,5,8-9,12H2,1-4H3,(H,26,27)/t19-/m1/s1
InChIKeyDCKBLUORWGRCNV-LJQANCHMSA-N
MW419.55 g/mol
LogP3.27
Rot. Bonds6

About (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide

(5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide (PubChem CID 140897396) has the molecular formula C21H27F2N3O2Si and a molecular weight of 419.55 g/mol. Its IUPAC name is (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
PubChem CID140897396
Molecular FormulaC21H27F2N3O2Si
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name(5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
SMILESCC[Si](C)(C)c1c(F)cc(NC(=O)[C@@H]2NCCc3nc(COC)ccc32)cc1F
InChIInChI=1S/C21H27F2N3O2Si/c1-5-29(3,4)20-16(22)10-14(11-17(20)23)26-21(27)19-15-7-6-13(12-28-2)25-18(15)8-9-24-19/h6-7,10-11,19,24H,5,8-9,12H2,1-4H3,(H,26,27)/t19-/m1/s1
InChIKeyDCKBLUORWGRCNV-LJQANCHMSA-N
XLogP3.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide?
The IUPAC name of (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide (CID 140897396) is (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide is CC[Si](C)(C)c1c(F)cc(NC(=O)[C@@H]2NCCc3nc(COC)ccc32)cc1F.
What is the InChIKey of (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide?
The InChIKey is DCKBLUORWGRCNV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27F2N3O2Si/c1-5-29(3,4)20-16(22)10-14(11-17(20)23)26-21(27)19-15-7-6-13(12-28-2)25-18(15)8-9-24-19/h6-7,10-11,19,24H,5,8-9,12H2,1-4H3,(H,26,27)/t19-/m1/s1.
What are the key properties of (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide?
(5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[4-[ethyl(dimethyl)silyl]-3,5-difluorophenyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 140897396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).