sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide

C49H70N11NaO6 — CID 159660247

About sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide

sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide (PubChem CID 159660247) has the molecular formula C49H70N11NaO6 and a molecular weight of 932.16 g/mol. Its IUPAC name is sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide.

Molecular Properties

• Compound Name: sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide
• PubChem CID: 159660247
• Molecular Formula: C49H70N11NaO6
• Molecular Weight: 932.16 g/mol
• Exact Mass: 931.54
• IUPAC Name: sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide
• SMILES: CC(C)(C)OC(=O)NCCCc1ccc2c(n1)NCCC2.CC(C)(C)OC(=O)NCCCc1ccc2cccnc2n1.NCCCc1ccc2c(n1)NCCC2.Nc1ncccc1C=O.[Na+].[OH-]
• InChI: InChI=1S/C16H25N3O2.C16H21N3O2.C11H17N3.C6H6N2O.Na.H2O/c2*1-16(2,3)21-15(20)18-11-5-7-13-9-8-12-6-4-10-17-14(12)19-13;12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10;7-6-5(4-9)2-1-3-8-6;;/h8-9H,4-7,10-11H2,1-3H3,(H,17,19)(H,18,20);4,6,8-10H,5,7,11H2,1-3H3,(H,18,20);5-6H,1-4,7-8,12H2,(H,13,14);1-4H,(H2,7,8);;1H2/q;;;;+1;/p-1
• InChIKey: MSSAOTAMJUJWAK-UHFFFAOYSA-M
• XLogP: 4.62
• TPSA: 264.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	932.16
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide?

The IUPAC name of sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide (CID 159660247) is sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide.

What is the SMILES notation for sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide?

The canonical SMILES for sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide is CC(C)(C)OC(=O)NCCCc1ccc2c(n1)NCCC2.CC(C)(C)OC(=O)NCCCc1ccc2cccnc2n1.NCCCc1ccc2c(n1)NCCC2.Nc1ncccc1C=O.[Na+].[OH-].

What is the InChIKey of sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide?

The InChIKey is MSSAOTAMJUJWAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H25N3O2.C16H21N3O2.C11H17N3.C6H6N2O.Na.H2O/c2*1-16(2,3)21-15(20)18-11-5-7-13-9-8-12-6-4-10-17-14(12)19-13;12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10;7-6-5(4-9)2-1-3-8-6;;/h8-9H,4-7,10-11H2,1-3H3,(H,17,19)(H,18,20);4,6,8-10H,5,7,11H2,1-3H3,(H,18,20);5-6H,1-4,7-8,12H2,(H,13,14);1-4H,(H2,7,8);;1H2/q;;;;+1;/p-1.

What are the key properties of sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide?

sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide has a molecular weight of 932.16 g/mol, XLogP of 4.62, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-aminopyridine-3-carbaldehyde;tert-butyl N-[3-(1,8-naphthyridin-2-yl)propyl]carbamate;tert-butyl N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroxide is sourced from PubChem (CID 159660247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).