N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide

C19H24FN3O2Si — CID 140774100

IUPACN-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
SMILESCOc1ccc2c(n1)CCNC2C(=O)Nc1ccc([Si](C)(C)C)c(F)c1
InChIInChI=1S/C19H24FN3O2Si/c1-25-17-8-6-13-15(23-17)9-10-21-18(13)19(24)22-12-5-7-16(14(20)11-12)26(2,3)4/h5-8,11,18,21H,9-10H2,1-4H3,(H,22,24)
InChIKeyXWKXQYFILSVVQE-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.60
Rot. Bonds4

About N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide

N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide (PubChem CID 140774100) has the molecular formula C19H24FN3O2Si and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
PubChem CID140774100
Molecular FormulaC19H24FN3O2Si
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
SMILESCOc1ccc2c(n1)CCNC2C(=O)Nc1ccc([Si](C)(C)C)c(F)c1
InChIInChI=1S/C19H24FN3O2Si/c1-25-17-8-6-13-15(23-17)9-10-21-18(13)19(24)22-12-5-7-16(14(20)11-12)26(2,3)4/h5-8,11,18,21H,9-10H2,1-4H3,(H,22,24)
InChIKeyXWKXQYFILSVVQE-UHFFFAOYSA-N
XLogP2.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide (CID 140774100) is N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide is COc1ccc2c(n1)CCNC2C(=O)Nc1ccc([Si](C)(C)C)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide?
The InChIKey is XWKXQYFILSVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2Si/c1-25-17-8-6-13-15(23-17)9-10-21-18(13)19(24)22-12-5-7-16(14(20)11-12)26(2,3)4/h5-8,11,18,21H,9-10H2,1-4H3,(H,22,24).
What are the key properties of N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide?
N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-trimethylsilylphenyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 140774100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).