sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide

C65H74Cl3N18NaO9 — CID 162160474

About sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide

sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide (PubChem CID 162160474) has the molecular formula C65H74Cl3N18NaO9 and a molecular weight of 1380.77 g/mol. Its IUPAC name is sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide.

Molecular Properties

• Compound Name: sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide
• PubChem CID: 162160474
• Molecular Formula: C65H74Cl3N18NaO9
• Molecular Weight: 1380.77 g/mol
• Exact Mass: 1378.48
• IUPAC Name: sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide
• SMILES: C.C.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1NC1CC1.COC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1.N.NC1CC1.Nc1ccc2cnccc2n1.O=C(O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1.[Na+].[OH-]
• InChI: InChI=1S/C18H17N5O2.C17H15N5O2.C10H11ClN2O2.C8H7N3.C7H5Cl2NO2.C3H7N.2CH4.H3N.Na.H2O/c1-25-18(24)13-10-20-17(8-15(13)21-12-3-4-12)23-16-5-2-11-9-19-7-6-14(11)22-16;23-17(24)12-9-19-16(7-14(12)20-11-2-3-11)22-15-4-1-10-8-18-6-5-13(10)21-15;1-15-10(14)7-5-12-9(11)4-8(7)13-6-2-3-6;9-8-2-1-6-5-10-4-3-7(6)11-8;1-12-7(11)4-3-10-6(9)2-5(4)8;4-3-1-2-3;;;;;/h2,5-10,12H,3-4H2,1H3,(H2,20,21,22,23);1,4-9,11H,2-3H2,(H,23,24)(H2,19,20,21,22);4-6H,2-3H2,1H3,(H,12,13);1-5H,(H2,9,11);2-3H,1H3;3H,1-2,4H2;2*1H4;1H3;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: NCIMVSOCUBZPAR-UHFFFAOYSA-M
• XLogP: 10.02
• TPSA: 422.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1380.77
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide?

The IUPAC name of sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide (CID 162160474) is sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide.

What is the SMILES notation for sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide?

The canonical SMILES for sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide is C.C.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1NC1CC1.COC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1.N.NC1CC1.Nc1ccc2cnccc2n1.O=C(O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1.[Na+].[OH-].

What is the InChIKey of sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide?

The InChIKey is NCIMVSOCUBZPAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17N5O2.C17H15N5O2.C10H11ClN2O2.C8H7N3.C7H5Cl2NO2.C3H7N.2CH4.H3N.Na.H2O/c1-25-18(24)13-10-20-17(8-15(13)21-12-3-4-12)23-16-5-2-11-9-19-7-6-14(11)22-16;23-17(24)12-9-19-16(7-14(12)20-11-2-3-11)22-15-4-1-10-8-18-6-5-13(10)21-15;1-15-10(14)7-5-12-9(11)4-8(7)13-6-2-3-6;9-8-2-1-6-5-10-4-3-7(6)11-8;1-12-7(11)4-3-10-6(9)2-5(4)8;4-3-1-2-3;;;;;/h2,5-10,12H,3-4H2,1H3,(H2,20,21,22,23);1,4-9,11H,2-3H2,(H,23,24)(H2,19,20,21,22);4-6H,2-3H2,1H3,(H,12,13);1-5H,(H2,9,11);2-3H,1H3;3H,1-2,4H2;2*1H4;1H3;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide?

sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide has a molecular weight of 1380.77 g/mol, XLogP of 10.02, 14 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;1,6-naphthyridin-2-amine;hydroxide is sourced from PubChem (CID 162160474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).