4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide

C27H38N4O3Si2 — CID 140801148

About 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide

4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 140801148) has the molecular formula C27H38N4O3Si2 and a molecular weight of 522.80 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide
• PubChem CID: 140801148
• Molecular Formula: C27H38N4O3Si2
• Molecular Weight: 522.80 g/mol
• Exact Mass: 522.25
• IUPAC Name: 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide
• SMILES: CCOc1ncc(C)c2c1C(c1ccc(C#N)cc1OC)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(C)N2
• InChI: InChI=1S/C27H38N4O3Si2/c1-11-34-26-24-23(20-13-12-19(15-28)14-21(20)33-4)22(18(3)30-25(24)17(2)16-29-26)27(32)31(35(5,6)7)36(8,9)10/h12-14,16,23,30H,11H2,1-10H3
• InChIKey: HLFJPYMVSATCBU-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 87.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.80
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

The IUPAC name of 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 140801148) is 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

What is the SMILES notation for 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

The canonical SMILES for 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide is CCOc1ncc(C)c2c1C(c1ccc(C#N)cc1OC)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(C)N2.

What is the InChIKey of 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

The InChIKey is HLFJPYMVSATCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3Si2/c1-11-34-26-24-23(20-13-12-19(15-28)14-21(20)33-4)22(18(3)30-25(24)17(2)16-29-26)27(32)31(35(5,6)7)36(8,9)10/h12-14,16,23,30H,11H2,1-10H3.

What are the key properties of 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 522.80 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 140801148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).