sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide

C113H167F5N18NaO24P — CID 159405524

About sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide

sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide (PubChem CID 159405524) has the molecular formula C113H167F5N18NaO24P and a molecular weight of 2310.63 g/mol. Its IUPAC name is sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide.

Molecular Properties

• Compound Name: sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide
• PubChem CID: 159405524
• Molecular Formula: C113H167F5N18NaO24P
• Molecular Weight: 2310.63 g/mol
• Exact Mass: 2309.20
• IUPAC Name: sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide
• SMILES: C.C.C.CC(C)(C)OC(=O)N1CCCC1=O.CC(C)(C)OC(=O)NCCCC(=O)CP(C)(C)=O.CC(C)(C)OC(=O)NCCCc1ccc2cccnc2n1.CC(C)(C)OC(=O)NCCCc1ccc2cccnc2n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCCCc1ccc2cccnc2n1.Nc1ncccc1C=O.O=C(O)C[C@@H](c1ccc(OC(F)F)nc1)N1CCN(CCCc2ccc3c(n2)CCCC3)C1=O.O=C1CCCN1.O=CC(F)(F)F.[Na+].[OH-]
• InChI: InChI=1S/C24H28F2N4O4.2C16H21N3O2.C12H24NO4P.C11H13N3.C10H18O5.C9H15NO3.C6H6N2O.C4H7NO.C2HF3O.3CH4.Na.H2O/c25-23(26)34-21-10-8-17(15-27-21)20(14-22(31)32)30-13-12-29(24(30)33)11-3-5-18-9-7-16-4-1-2-6-19(16)28-18;2*1-16(2,3)21-15(20)18-11-5-7-13-9-8-12-6-4-10-17-14(12)19-13;1-12(2,3)17-11(15)13-8-6-7-10(14)9-18(4,5)16;12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)13-8(12)10-6-4-5-7(10)11;7-6-5(4-9)2-1-3-8-6;6-4-2-1-3-5-4;3-2(4,5)1-6;;;;;/h7-10,15,20,23H,1-6,11-14H2,(H,31,32);2*4,6,8-10H,5,7,11H2,1-3H3,(H,18,20);6-9H2,1-5H3,(H,13,15);2-3,5-6,8H,1,4,7,12H2;1-6H3;4-6H2,1-3H3;1-4H,(H2,7,8);1-3H2,(H,5,6);1H;3*1H4;;1H2/q;;;;;;;;;;;;;+1;/p-1/t20-;;;;;;;;;;;;;;/m0............../s1
• InChIKey: LNXCQRIWOCIFPO-HXBZMQTOSA-M
• XLogP: 18.29
• TPSA: 588.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2310.63
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide?

The IUPAC name of sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide (CID 159405524) is sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide.

What is the SMILES notation for sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide?

The canonical SMILES for sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide is C.C.C.CC(C)(C)OC(=O)N1CCCC1=O.CC(C)(C)OC(=O)NCCCC(=O)CP(C)(C)=O.CC(C)(C)OC(=O)NCCCc1ccc2cccnc2n1.CC(C)(C)OC(=O)NCCCc1ccc2cccnc2n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCCCc1ccc2cccnc2n1.Nc1ncccc1C=O.O=C(O)C[C@@H](c1ccc(OC(F)F)nc1)N1CCN(CCCc2ccc3c(n2)CCCC3)C1=O.O=C1CCCN1.O=CC(F)(F)F.[Na+].[OH-].

What is the InChIKey of sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide?

The InChIKey is LNXCQRIWOCIFPO-HXBZMQTOSA-M. The full InChI is InChI=1S/C24H28F2N4O4.2C16H21N3O2.C12H24NO4P.C11H13N3.C10H18O5.C9H15NO3.C6H6N2O.C4H7NO.C2HF3O.3CH4.Na.H2O/c25-23(26)34-21-10-8-17(15-27-21)20(14-22(31)32)30-13-12-29(24(30)33)11-3-5-18-9-7-16-4-1-2-6-19(16)28-18;2*1-16(2,3)21-15(20)18-11-5-7-13-9-8-12-6-4-10-17-14(12)19-13;1-12(2,3)17-11(15)13-8-6-7-10(14)9-18(4,5)16;12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)13-8(12)10-6-4-5-7(10)11;7-6-5(4-9)2-1-3-8-6;6-4-2-1-3-5-4;3-2(4,5)1-6;;;;;/h7-10,15,20,23H,1-6,11-14H2,(H,31,32);2*4,6,8-10H,5,7,11H2,1-3H3,(H,18,20);6-9H2,1-5H3,(H,13,15);2-3,5-6,8H,1,4,7,12H2;1-6H3;4-6H2,1-3H3;1-4H,(H2,7,8);1-3H2,(H,5,6);1H;3*1H4;;1H2/q;;;;;;;;;;;;;+1;/p-1/t20-;;;;;;;;;;;;;;/m0............../s1.

What are the key properties of sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide?

sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide has a molecular weight of 2310.63 g/mol, XLogP of 18.29, 28 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-(5-dimethylphosphoryl-4-oxopentyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate);tert-butyl 2-oxopyrrolidine-1-carboxylate;(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-1-yl]propanoic acid;methane;3-(1,8-naphthyridin-2-yl)propan-1-amine;pyrrolidin-2-one;2,2,2-trifluoroacetaldehyde;hydroxide is sourced from PubChem (CID 159405524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).