6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C32H47N7O6Si — CID 140672948

About 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 140672948) has the molecular formula C32H47N7O6Si and a molecular weight of 653.86 g/mol. Its IUPAC name is 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 140672948
• Molecular Formula: C32H47N7O6Si
• Molecular Weight: 653.86 g/mol
• Exact Mass: 653.34
• IUPAC Name: 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](O[Si](C)(C)C(C)(C)C)C4=O)c(C(OC)OC)nc32)ncc1C#N
• InChI: InChI=1S/C32H47N7O6Si/c1-32(2,3)46(7,8)45-25-11-14-38(29(25)40)20-22-16-21-10-9-13-39(28(21)37-27(22)30(43-5)44-6)31(41)36-26-17-24(34-12-15-42-4)23(18-33)19-35-26/h16-17,19,25,30H,9-15,20H2,1-8H3,(H2,34,35,36,41)/t25-/m1/s1
• InChIKey: ZIUIWMQFZACETP-RUZDIDTESA-N
• XLogP: 4.81
• TPSA: 151.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	653.86
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 140672948) is 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](O[Si](C)(C)C(C)(C)C)C4=O)c(C(OC)OC)nc32)ncc1C#N.

What is the InChIKey of 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is ZIUIWMQFZACETP-RUZDIDTESA-N. The full InChI is InChI=1S/C32H47N7O6Si/c1-32(2,3)46(7,8)45-25-11-14-38(29(25)40)20-22-16-21-10-9-13-39(28(21)37-27(22)30(43-5)44-6)31(41)36-26-17-24(34-12-15-42-4)23(18-33)19-35-26/h16-17,19,25,30H,9-15,20H2,1-8H3,(H2,34,35,36,41)/t25-/m1/s1.

What are the key properties of 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 653.86 g/mol, XLogP of 4.81, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxopyrrolidin-1-yl]methyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 140672948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).